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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-15-10-9-11-17(14-15)21(25)26-20-19(27-18-12-7-6-8-13-18)16(2)23-24(20)22(3,4)5/h6-14H,1-5H3