(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H18N2O4S MolecularWeight: 430.47572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O4S/c1-16-22(31-19-10-6-3-7-11-19)23(26(25-16)18-8-4-2-5-9-18)30-24(27)17-12-13-20-21(14-17)29-15-28-20/h2-14H,15H2,1H3