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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSCC(=O)OC)C3=CC=CC=C3

InChI

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