N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C25H21FN4O2S/c1-32-19-13-11-18(12-14-19)30-23-10-5-3-8-21(23)28-25(30)33-17-24(31)29(16-6-15-27)22-9-4-2-7-20(22)26/h2-5,7-14H,6,16-17H2,1H3