N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]acetamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O4S/c1-34-23-11-6-5-10-22(23)28(15-7-14-26)24(31)17-35-25-27-20-16-19(30(32)33)12-13-21(20)29(25)18-8-3-2-4-9-18/h2-6,8-13,16H,7,15,17H2,1H3