(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3-methylphenyl)ethanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3-methylphenyl)ethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(m-tolyl)acetate CAS Name: 2-(3-methylphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(3-methylphenyl)acetate Traditional Name: 2-(m-tolyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c1-18-10-9-11-20(16-18)17-23(28)29-25-24(30-22-14-7-4-8-15-22)19(2)26-27(25)21-12-5-3-6-13-21/h3-16H,17H2,1-2H3