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

Systemtic Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate IUPAC Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-mesylphenyl)-1H-pyrazole-5-carboxylate Formula: C17H12ClN2O4S- MolecularWeight: 375.80618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H13ClN2O4S/c1-25(23,24)13-8-4-11(5-9-13)15-14(16(17(21)22)20-19-15)10-2-6-12(18)7-3-10/h2-9H,1H3,(H,19,20)(H,21,22)/p-1