(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromanyl-2-chloranyl-benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H16BrClN2O2S MolecularWeight: 499.80734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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