[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-15-9-7-8-12-19(15)29-14-21(27)28-13-20(26)23-22-16(2)24-25(17(22)3)18-10-5-4-6-11-18/h4-12H,13-14H2,1-3H3,(H,23,26)