5-methyl-N-(2-phenylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-(2-phenylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-N-(2-phenylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-(phenylthio)ethyl]-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-(2-phenylsulfanylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-N-[2-(phenylthio)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H18F3N3OS/c1-14-18(19(27)24-10-11-28-17-8-3-2-4-9-17)13-25-26(14)16-7-5-6-15(12-16)20(21,22)23/h2-9,12-13H,10-11H2,1H3,(H,24,27)