5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-(phenylmethylthio)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide Formula: C20H19F3N4OS MolecularWeight: 420.45127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H19F3N4OS/c1-14-17(19(28)24-9-10-29-13-15-5-3-2-4-6-15)12-26-27(14)18-8-7-16(11-25-18)20(21,22)23/h2-8,11-12H,9-10,13H2,1H3,(H,24,28)