(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(4-chlorophenyl)thio]-3-nitro-phenyl]acrylonitrile Formula: C22H13ClN4O2S MolecularWeight: 432.88222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H13ClN4O2S/c23-16-6-8-17(9-7-16)30-21-10-5-14(12-20(21)27(28)29)11-15(13-24)22-25-18-3-1-2-4-19(18)26-22/h1-12H,(H,25,26)/b15-11+