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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-14-19(29-16-8-6-5-7-9-16)20(24(23-14)22(2,3)4)28-21(25)15-10-11-17-18(12-15)27-13-26-17/h5-12H,13H2,1-4H3