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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-15-20(30-17-10-8-7-9-11-17)21(25(24-15)23(2,3)4)29-22(26)16-12-13-18(27-5)19(14-16)28-6/h7-14H,1-6H3