3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide

Systemtic Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-N-oxidanyl-2-sulfanylidene-1H-benzimidazol-5-amine oxide Openeye Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide CAS Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide IUPAC Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-N-hydroxy-2-sulfanylidene-1H-benzimidazol-5-amine oxide Traditional Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-N-hydroxy-2-thioxo-1H-benzimidazol-5-amine oxide Formula: C17H11N5O2S2 MolecularWeight: 381.43154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CN3C4=C(C=CC(=C4)[NH+](O)[O-])NC3=S)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/N3C4=C(C=CC(=C4)[NH+](O)[O-])NC3=S)/C#N

InChI

InChI=1S/C17H11N5O2S2/c18-8-10(16-19-13-3-1-2-4-15(13)26-16)9-21-14-7-11(22(23)24)5-6-12(14)20-17(21)25/h1-7,9,22-23H,(H,20,25)/b10-9+