5-(1H-benzimidazol-2-ylsulfanyl)-2-nitro-benzenecarbonitrile

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanyl)-2-nitro-benzenecarbonitrile Openeye Name: 5-(1H-benzimidazol-2-ylsulfanyl)-2-nitro-benzonitrile CAS Name: 5-(1H-benzimidazol-2-ylthio)-2-nitrobenzonitrile IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanyl)-2-nitrobenzonitrile Traditional Name: 5-(1H-benzimidazol-2-ylthio)-2-nitro-benzonitrile Formula: C14H8N4O2S MolecularWeight: 296.30392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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