(4-methylsulfanylphenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [4-(methylthio)benzyl] ester Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O2S/c1-15-20(16(2)23(22-15)18-7-5-4-6-8-18)13-21(24)25-14-17-9-11-19(26-3)12-10-17/h4-12H,13-14H2,1-3H3