N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C24H22FN5OS MolecularWeight: 447.527783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3N2C)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H22FN5OS/c1-15-16(2)30(13-17-8-10-18(25)11-9-17)23(19(15)12-26)28-22(31)14-32-24-27-20-6-4-5-7-21(20)29(24)3/h4-11H,13-14H2,1-3H3,(H,28,31)