nitrobenzene; 8-oxidanyl-N-(4-sulfanylphenyl)quinoline-7-carboxamide; hydrochloride

Systemtic Name: nitrobenzene; 8-oxidanyl-N-(4-sulfanylphenyl)quinoline-7-carboxamide; hydrochloride Openeye Name: 8-hydroxy-N-(4-sulfanylphenyl)quinoline-7-carboxamide; nitrobenzene; hydrochloride CAS Name: 8-hydroxy-N-(4-mercaptophenyl)-7-quinolinecarboxamide; nitrobenzene; hydrochloride IUPAC Name: 8-hydroxy-N-(4-sulfanylphenyl)quinoline-7-carboxamide; nitrobenzene; hydrochloride Traditional Name: 8-hydroxy-N-(4-mercaptophenyl)quinoline-7-carboxamide; nitrobenzene; hydrochloride Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC2=C(C(=C(C=C2)C(=O)NC3=CC=C(C=C3)S)O)N=C1.Cl

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC2=C(C(=C(C=C2)C(=O)NC3=CC=C(C=C3)S)O)N=C1.Cl

InChI

InChI=1S/C16H12N2O2S.C6H5NO2.ClH/c19-15-13(8-3-10-2-1-9-17-14(10)15)16(20)18-11-4-6-12(21)7-5-11;8-7(9)6-4-2-1-3-5-6;/h1-9,19,21H,(H,18,20);1-5H;1H