56642825 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 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 11 12 13 13 14 14 15 15 16 17 10 17 11 5 10 22 17 25 9 10 11 8 9 13 12 14 18 12 19 15 20 16 21 16 23 24 2 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 6 9 11 10 4 2 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 25 2 3.6636 4.5772 4.4727 3.4945 5.4432 7.1753 7.1753 6.3092 4.5772 5.4432 6.3092 8.0692 8.0692 8.9753 8.9753 2.9945 6.3092 6.3092 8.062 8.062 4.9334 9.511 9.511 3.2424 -0.3648 0.2738 1.8671 -1.1274 -1.3354 0.3671 0.3671 1.3671 -0.1329 -0.1329 1.3671 1.8671 -0.1676 1.9018 0.3463 1.3879 -0.4693 -0.7529 2.4871 -0.7875 2.5217 -1.5423 0.0342 1.7 -1.9018 8 8 8 8 8 8 7 7 8 13 14 15 8 13 14 15 16 16 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 579 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000400000000000000000000000000160000000204000000000000000800000001E04180000000C048180000000006204008C02A05240000008002020030828010000490800000001000000000080000881420000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-(5-thioxo-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)-2-naphthalenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>Z</I>)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3Z)-3-(5-thioxo-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C12H8N2O2S/c15-10-6-8-4-2-1-3-7(8)5-9(10)11-13-14-12(17)16-11/h1-6,13H,(H,14,17)/b11-9- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CUZFNBNAMVZFJX-LUAWRHEFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.03064868 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C12H8N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=CC(=C3NNC(=S)O3)C(=O)C=C2C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC2=C/C(=C/3\NNC(=S)O3)/C(=O)C=C2C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 244.03064868 17 0 0 0 1 1 0 0 1 -1