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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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