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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H27N5O3S/c1-17-18(2)31(20-7-9-21(34-3)10-8-20)25(22(17)14-27)29-23(32)16-35-24-11-6-19(15-28-24)26(33)30-12-4-5-13-30/h6-11,15H,4-5,12-13,16H2,1-3H3,(H,29,32)