N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=CN2C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H21N5O2S/c1-13-14(2)25(15-5-7-16(27-4)8-6-15)19(17(13)11-21)23-18(26)12-28-20-22-9-10-24(20)3/h5-10H,12H2,1-4H3,(H,23,26)