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

Systemtic Name: propan-2-yl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15(2)26-18(25)14-27-20-23-22-19(17-9-6-11-21-13-17)24(20)12-10-16-7-4-3-5-8-16/h3-9,11,13,15H,10,12,14H2,1-2H3