N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C24H33N7OS MolecularWeight: 467.63012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)C5CCCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCC4)C5CCCCC5)C

InChI

InChI=1S/C24H33N7OS/c1-16-17(2)30(18-8-4-3-5-9-18)22(20(16)14-25)26-21(32)15-33-24-28-27-23(29-12-6-7-13-29)31(24)19-10-11-19/h18-19H,3-13,15H2,1-2H3,(H,26,32)