1-(4-methylphenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(3-phenylsulfanylpropyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[3-(phenylthio)propyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[3-(phenylthio)propyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCSC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCSC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-15-8-10-16(11-9-15)27-19(21(22,23)24)18(14-26-27)20(28)25-12-5-13-29-17-6-3-2-4-7-17/h2-4,6-11,14H,5,12-13H2,1H3,(H,25,28)