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

Systemtic Name: 3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylthio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C15H10ClF3N4OS MolecularWeight: 386.77931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SCC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C15H10ClF3N4OS/c16-11-6-9(15(17,18)19)7-20-12(11)8-25-14-22-21-13(24)23(14)10-4-2-1-3-5-10/h1-7H,8H2,(H,21,24)