[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]methyl 4-chloranylbenzoate

Systemtic Name: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]methyl 4-chloranylbenzoate Openeye Name: [1-methyl-3-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-methyl-3-phenyl-5-(p-tolylthio)pyrazol-4-yl]methyl ester Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O2S/c1-17-8-14-21(15-9-17)31-24-22(16-30-25(29)19-10-12-20(26)13-11-19)23(27-28(24)2)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3