N-(2-phenylsulfanylethyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Openeye Name: 5-isopropyl-N-(2-phenylsulfanylethyl)-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide Traditional Name: 5-isopropyl-N-[2-(phenylthio)ethyl]-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21F3N4OS/c1-14(2)19-17(20(29)25-10-11-30-16-6-4-3-5-7-16)13-27-28(19)18-9-8-15(12-26-18)21(22,23)24/h3-9,12-14H,10-11H2,1-2H3,(H,25,29)