3-[(Z)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide

Systemtic Name: 3-[(Z)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide Openeye Name: 3-[(Z)-2-cyano-2-(p-tolylsulfonyl)vinyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide CAS Name: 3-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide IUPAC Name: 3-[(Z)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide Traditional Name: 3-[(Z)-2-cyano-2-tosyl-vinyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2C3=C(C=CC(=C3)[NH+](O)[O-])NC2=S)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\N2C3=C(C=CC(=C3)[NH+](O)[O-])NC2=S)/C#N

InChI

InChI=1S/C17H14N4O4S2/c1-11-2-5-13(6-3-11)27(24,25)14(9-18)10-20-16-8-12(21(22)23)4-7-15(16)19-17(20)26/h2-8,10,21-22H,1H3,(H,19,26)/b14-10-