N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=C(C=CC=N2)C#N)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=C(C=CC=N2)C#N)C3CCCCC3)C

InChI

InChI=1S/C21H23N5OS/c1-14-15(2)26(17-8-4-3-5-9-17)20(18(14)12-23)25-19(27)13-28-21-16(11-22)7-6-10-24-21/h6-7,10,17H,3-5,8-9,13H2,1-2H3,(H,25,27)