propan-2-yl 3-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-phenyl-3-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]propanoate CAS Name: 3-[[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]propionic acid isopropyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3S/c1-16(2)31-22(30)15-20(18-7-5-4-6-8-18)25-21(29)13-14-28-23(26-27-24(28)32)19-11-9-17(3)10-12-19/h4-12,16,20H,13-15H2,1-3H3,(H,25,29)(H,27,32)