N-(3-cyanophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C23H17N5O4S MolecularWeight: 459.47718

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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)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N5O4S/c1-32-21-8-3-2-7-20(21)27-19-10-9-17(28(30)31)12-18(19)26-23(27)33-14-22(29)25-16-6-4-5-15(11-16)13-24/h2-12H,14H2,1H3,(H,25,29)