[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C24H17ClN2O4S MolecularWeight: 464.92078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H17ClN2O4S/c1-15-22(32-19-10-8-17(25)9-11-19)23(27(26-15)18-5-3-2-4-6-18)31-24(28)16-7-12-20-21(13-16)30-14-29-20/h2-13H,14H2,1H3