[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-phenylbenzoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-phenylbenzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H25ClN2O2S/c1-18-24(33-23-16-14-22(28)15-17-23)25(30(29-18)27(2,3)4)32-26(31)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-17H,1-4H3