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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethylbenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic 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=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2S/c1-17-14-15-20(16-18(17)2)25(28)29-24-23(30-22-12-8-5-9-13-22)19(3)26-27(24)21-10-6-4-7-11-21/h4-16H,1-3H3