[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-propan-2-yloxybenzoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-propan-2-yloxybenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C27H26N2O3S/c1-18(2)31-23-14-12-21(13-15-23)27(30)32-26-25(33-24-16-10-19(3)11-17-24)20(4)28-29(26)22-8-6-5-7-9-22/h5-18H,1-4H3