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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4

InChI

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