N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(4-cyclopropyl-5-morpholin-4-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-morpholin-4-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-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(4-cyclopropyl-5-morpholin-4-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-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C24H33N7O2S MolecularWeight: 483.62952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)C5CCCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)C5CCCCC5)C

InChI

InChI=1S/C24H33N7O2S/c1-16-17(2)30(18-6-4-3-5-7-18)22(20(16)14-25)26-21(32)15-34-24-28-27-23(31(24)19-8-9-19)29-10-12-33-13-11-29/h18-19H,3-13,15H2,1-2H3,(H,26,32)