N-(4-methoxyphenyl)-1-methyl-5-(phenylmethylsulfanyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-1-methyl-5-(phenylmethylsulfanyl)-3-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 5-benzylsulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(4-methoxyphenyl)-1-methyl-5-(phenylmethylthio)-3-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 5-benzylsulfanyl-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 5-(benzylthio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18F3N3O2S/c1-26-19(29-12-13-6-4-3-5-7-13)16(17(25-26)20(21,22)23)18(27)24-14-8-10-15(28-2)11-9-14/h3-11H,12H2,1-2H3,(H,24,27)