4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-methylsulfonylphenyl)-N-phenylpyrazole-3-carboxamide Traditional Name: 4-(4-chlorophenyl)-2-(cyanomethyl)-5-(4-mesylphenyl)-N-phenyl-pyrazole-3-carboxamide Formula: C25H19ClN4O3S MolecularWeight: 490.96136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN(C(=C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)CC#N

InChI

InChI=1S/C25H19ClN4O3S/c1-34(32,33)21-13-9-18(10-14-21)23-22(17-7-11-19(26)12-8-17)24(30(29-23)16-15-27)25(31)28-20-5-3-2-4-6-20/h2-14H,16H2,1H3,(H,28,31)