(4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (4-chlorophenyl) 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid (4-chlorophenyl) ester Formula: C17H13ClN2O2S MolecularWeight: 344.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C=C1C(=O)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C=C1C(=O)OC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2O2S/c1-23-16-15(11-20(19-16)13-5-3-2-4-6-13)17(21)22-14-9-7-12(18)8-10-14/h2-11H,1H3