propan-2-yl 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)OC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC(=O)OC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C19H26N4O2S/c1-13(2)25-17(24)12-26-19-22-21-18(15-8-6-10-20-11-15)23(19)16-9-5-4-7-14(16)3/h6,8,10-11,13-14,16H,4-5,7,9,12H2,1-3H3