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

Systemtic Name: methyl 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

InChI

InChI=1S/C18H17N3O2S/c1-13-8-6-7-11-15(13)17-19-20-18(24-12-16(22)23-2)21(17)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3