2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-13-24-19(16-9-11-18(26-2)12-10-16)22-23-21(24)28-15-14-27-20(25)17-7-5-4-6-8-17/h3-12H,1,13-15H2,2H3