2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H18FN5OS/c1-13-14(2)28(16-9-7-15(23)8-10-16)21(17(13)11-24)27-20(29)12-30-22-25-18-5-3-4-6-19(18)26-22/h3-10H,12H2,1-2H3,(H,25,26)(H,27,29)