4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-nitro-phthalonitrile CAS Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(1H-benzimidazol-3-ium-2-ylsulfanyl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(1H-benzimidazol-3-ium-2-ylthio)-5-nitro-phthalonitrile Formula: C15H8N5O2S+ MolecularWeight: 322.32132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H7N5O2S/c16-7-9-5-13(20(21)22)14(6-10(9)8-17)23-15-18-11-3-1-2-4-12(11)19-15/h1-6H,(H,18,19)/p+1