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

Systemtic Name: (3-methylphenyl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: m-tolylmethyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetic acid (3-methylbenzyl) ester Formula: C24H21N3O2S MolecularWeight: 415.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-18-9-8-10-19(15-18)16-29-22(28)17-30-24-26-25-23(20-11-4-2-5-12-20)27(24)21-13-6-3-7-14-21/h2-15H,16-17H2,1H3