2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C19H25N5OS MolecularWeight: 371.4997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C19H25N5OS/c1-13-5-2-3-7-16(13)21-17(25)12-26-19-23-22-18(24(19)15-8-9-15)14-6-4-10-20-11-14/h4,6,10-11,13,15-16H,2-3,5,7-9,12H2,1H3,(H,21,25)/t13-,16-/m0/s1