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

Systemtic Name: (4-methylphenyl) 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: p-tolyl 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 (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-17-12-14-20(15-13-17)28-21(27)16-29-23-25-24-22(18-8-4-2-5-9-18)26(23)19-10-6-3-7-11-19/h2-15H,16H2,1H3