[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15-8-10-17(11-9-15)24-19(12-16(2)23-24)22-20(25)13-27-21(26)14-28-18-6-4-3-5-7-18/h3-12H,13-14H2,1-2H3,(H,22,25)