N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N)C

InChI

InChI=1S/C21H27N5OS/c1-12-14(3)23-21(24-15(12)4)28-11-19(27)25-20-18(10-22)13(2)16(5)26(20)17-8-6-7-9-17/h17H,6-9,11H2,1-5H3,(H,25,27)