propan-2-yl 3-[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C

InChI

InChI=1S/C24H26N4O3S/c1-5-13-28-22(20-12-7-6-9-17(20)4)26-27-24(28)32-15-21(29)25-19-11-8-10-18(14-19)23(30)31-16(2)3/h5-12,14,16H,1,13,15H2,2-4H3,(H,25,29)