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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C23H16BrClN2O2S MolecularWeight: 499.80734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrClN2O2S/c1-15-21(30-20-12-10-18(25)11-13-20)22(27(26-15)19-8-3-2-4-9-19)29-23(28)16-6-5-7-17(24)14-16/h2-14H,1H3