(1,3-diphenylpyrazol-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-19-10-8-9-15-23(19)30-18-24(28)29-17-21-16-27(22-13-6-3-7-14-22)26-25(21)20-11-4-2-5-12-20/h2-16H,17-18H2,1H3