1475345 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 17 17 16 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 6 6 7 8 8 8 9 9 10 10 10 11 11 12 13 13 14 14 15 15 16 17 18 18 19 21 21 22 23 23 25 25 25 12 16 19 5 10 16 24 25 20 18 20 32 22 24 11 26 27 12 13 14 15 28 17 29 17 30 19 31 21 22 20 23 33 34 24 35 36 37 38 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 4 5 10 16 -1 3 1 16 2 4 19 3 20 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 6.3301 4.5981 2.866 5.4641 5.4641 2.866 4.5981 2.866 3.732 6.3301 7.1962 7.1962 8.0622 8.0622 8.9282 4.5981 8.9282 2.866 3.732 3.732 2 3.732 2 2.866 2 6.7287 5.9316 8.0622 8.0622 9.4651 9.4651 2.3291 1.4631 4.269 1.4631 1.69 1.4631 2.31 0.75 3.75 2.75 2.25 1.25 -3.25 0.75 0.75 -1.75 2.75 2.25 1.25 2.75 0.75 2.25 2.75 1.25 -0.25 2.25 1.25 -0.75 -0.75 -1.75 -2.25 -3.75 3.225 3.225 3.37 0.13 2.56 0.94 1.06 -0.44 -0.44 -2.06 -3.2131 -4.06 -4.2869 3 8 8 8 8 8 8 8 8 8 8 8 8 4 9 9 11 11 12 13 14 15 18 18 21 23 10 22 24 12 13 14 15 17 17 21 22 23 24 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 533 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B30004600000000000000000000000000000000003C400000000000000001C000001E06100000000C0AC5DA26BEC492C8140AA80235775440C2882031373008D8203E7ED84C66E2E5B39BD4302864D411C8E807B090000E00000000000100000000000000020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxy-3-pyridyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>Z</I>)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-<I>N</I>-(6-methoxypyridin-3-yl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2,3-bis(chloranyl)-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2,3-dichloro-3-(2-chlorobenzyl)sulfinyl-N-(6-methoxy-3-pyridyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-11(8-20-13)21-16(22)14(18)15(19)25(23)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H,21,22)/b15-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KGNTURBTSFOMRB-CCEZHUSRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.971247 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13Cl3N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 419.7 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=NC=C(C=C1)NC(=O)C(=C(S(=O)CC2=CC=CC=C2Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=NC=C(C=C1)NC(=O)/C(=C(\S(=O)CC2=CC=CC=C2Cl)/Cl)/Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.971247 25 1 0 1 1 1 0 0 1 -1