methane; 8-oxidanyl-N-(3-sulfanylphenyl)quinoline-7-carboxamide; hydrochloride

Systemtic Name: methane; 8-oxidanyl-N-(3-sulfanylphenyl)quinoline-7-carboxamide; hydrochloride Openeye Name: 8-hydroxy-N-(3-sulfanylphenyl)quinoline-7-carboxamide; methane; hydrochloride CAS Name: 8-hydroxy-N-(3-mercaptophenyl)-7-quinolinecarboxamide; methane; hydrochloride IUPAC Name: 8-hydroxy-N-(3-sulfanylphenyl)quinoline-7-carboxamide; methane; hydrochloride Traditional Name: 8-hydroxy-N-(3-mercaptophenyl)quinoline-7-carboxamide; methane; hydrochloride Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC(=C1)S)NC(=O)C2=C(C3=C(C=CC=N3)C=C2)O.Cl

Isomeric SMILES

C.C1=CC(=CC(=C1)S)NC(=O)C2=C(C3=C(C=CC=N3)C=C2)O.Cl

InChI

InChI=1S/C16H12N2O2S.CH4.ClH/c19-15-13(7-6-10-3-2-8-17-14(10)15)16(20)18-11-4-1-5-12(21)9-11;;/h1-9,19,21H,(H,18,20);1H4;1H