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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-dimethylbenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H21ClN2O2S/c1-16-9-10-19(15-17(16)2)25(29)30-24-23(31-22-13-11-20(26)12-14-22)18(3)27-28(24)21-7-5-4-6-8-21/h4-15H,1-3H3