(4-ethoxyphenyl) 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-ethoxyphenyl) 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-ethoxyphenyl) 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid p-phenetyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2=CC=C(C=C2)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2=CC=C(C=C2)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C21H23N3O3S/c1-4-24-20(18-9-7-6-8-15(18)3)22-23-21(24)28-14-19(25)27-17-12-10-16(11-13-17)26-5-2/h6-13H,4-5,14H2,1-3H3