4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-(1H-benzimidazol-2-ylthio)-3-nitrobenzonitrile IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-(1H-benzimidazol-2-ylthio)-3-nitro-benzonitrile Formula: C14H8N4O2S MolecularWeight: 296.30392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O2S/c15-8-9-5-6-13(12(7-9)18(19)20)21-14-16-10-3-1-2-4-11(10)17-14/h1-7H,(H,16,17)