[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-phenylbutanoate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S/c1-3-23(19-10-6-4-7-11-19)26(30)31-25-24(32-22-16-14-20(27)15-17-22)18(2)28-29(25)21-12-8-5-9-13-21/h4-17,23H,3H2,1-2H3