methyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-mesylphenyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-25-18(22)17-15(11-3-7-13(19)8-4-11)16(20-21-17)12-5-9-14(10-6-12)26(2,23)24/h3-10H,1-2H3,(H,20,21)