4-(1H-benzimidazol-3-ium-2-ylsulfanyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)benzene-1,2-dicarbonitrile Openeye Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)phthalonitrile CAS Name: 4-(1H-benzimidazol-3-ium-2-ylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)benzene-1,2-dicarbonitrile Traditional Name: 4-(1H-benzimidazol-3-ium-2-ylthio)phthalonitrile Formula: C15H9N4S+ MolecularWeight: 277.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SC3=CC(=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SC3=CC(=C(C=C3)C#N)C#N

InChI

InChI=1S/C15H8N4S/c16-8-10-5-6-12(7-11(10)9-17)20-15-18-13-3-1-2-4-14(13)19-15/h1-7H,(H,18,19)/p+1