3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylsulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylthio]-4-pentyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one Traditional Name: 4-amyl-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylthio]-1H-1,2,4-triazol-5-one Formula: C14H16ClF3N4OS MolecularWeight: 380.81625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)NN=C1SCC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCCCCN1C(=O)NN=C1SCC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H16ClF3N4OS/c1-2-3-4-5-22-12(23)20-21-13(22)24-8-11-10(15)6-9(7-19-11)14(16,17)18/h6-7H,2-5,8H2,1H3,(H,20,23)