(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopropanecarboxylate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopropanecarboxylate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CC3)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CC3)C(C)(C)C

InChI

InChI=1S/C18H22N2O2S/c1-12-15(23-14-8-6-5-7-9-14)16(20(19-12)18(2,3)4)22-17(21)13-10-11-13/h5-9,13H,10-11H2,1-4H3