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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,5-dimethylphenyl)ethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O2S/c1-18-14-19(2)16-21(15-18)17-24(29)30-26-25(31-23-12-8-5-9-13-23)20(3)27-28(26)22-10-6-4-7-11-22/h4-16H,17H2,1-3H3