1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(p-tolyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[4-(3-pyridinylmethylthio)phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(p-tolyl)-N-[4-(3-pyridylmethylthio)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C24H19F3N4OS MolecularWeight: 468.49407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H19F3N4OS/c1-16-4-8-19(9-5-16)31-22(24(25,26)27)21(14-29-31)23(32)30-18-6-10-20(11-7-18)33-15-17-3-2-12-28-13-17/h2-14H,15H2,1H3,(H,30,32)