2-[[4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-isopropoxyphenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-phenyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-isopropoxybenzyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H20N3O3S- MolecularWeight: 382.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-14(2)26-17-10-8-15(9-11-17)12-18-21-22-20(27-13-19(24)25)23(18)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,24,25)/p-1