N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19BrF3N5OS MolecularWeight: 514.36197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F)C3=CC=NC=C3

InChI

InChI=1S/C20H19BrF3N5OS/c1-12(2)10-29-18(13-5-7-25-8-6-13)27-28-19(29)31-11-17(30)26-16-4-3-14(21)9-15(16)20(22,23)24/h3-9,12H,10-11H2,1-2H3,(H,26,30)