[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,5-bis(chloranyl)benzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C24H18Cl2N2O2S MolecularWeight: 469.38292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C24H18Cl2N2O2S/c1-15-8-11-19(12-9-15)31-22-16(2)27-28(18-6-4-3-5-7-18)23(22)30-24(29)20-14-17(25)10-13-21(20)26/h3-14H,1-2H3