9576957 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 6 6 6 7 7 8 9 9 10 11 12 12 12 14 14 15 13 14 10 4 7 13 22 13 15 8 9 12 8 10 16 11 17 11 18 19 20 21 15 23 24 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 3 -1 4 7 10 8 2 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 5.4071 2 3.732 4.5981 3.7891 4.5981 3.732 4.5981 3.732 2.866 2.866 5.4641 4.5981 5.0981 4.0981 5.135 3.732 2.3291 5.1541 6.001 5.7741 5.135 5.4625 3.7336 2.0684 -1.0194 -0.0194 0.4806 2.0684 -2.5194 -1.0194 -1.5194 -3.0194 -1.5194 -2.5194 -3.0194 1.4806 3.0194 3.0194 -1.2094 -3.6394 -2.8294 -3.5564 -3.3294 -2.4825 0.1706 3.521 3.521 8 8 8 8 8 1 1 5 5 14 13 14 13 15 15 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 360 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0732000400000000000000000000000000160000000200000000000000000018000001E04180000000C0CC5C204AF91126A1008AC03B077640010F0A9710A394C480D3820588800000001000000000088020881A20000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-4-methyl-6-(thiazol-2-ylhydrazono)cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-4-methyl-6-(2-thiazolylhydrazinylidene)-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6<I>E</I>)-4-methyl-6-(1,3-thiazol-2-ylhydrazinylidene)cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-4-methyl-6-(1,3-thiazol-2-ylhydrazinylidene)cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-4-methyl-6-(1,3-thiazol-2-ylhydrazinylidene)cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-4-methyl-6-(thiazol-2-ylhydrazono)cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6H,1H3,(H,11,13)/b12-8+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WWMBUKCSFMTGEN-XYOKQWHBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 219.04663309 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H9N3OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 219.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NNC2=NC=CS2)C(=O)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C/C(=N\NC2=NC=CS2)/C(=O)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 219.04663309 15 0 0 0 1 1 0 0 1 -1