3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H14F3N3O2S MolecularWeight: 345.34007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2S/c1-2-6-20-12(22)18-19-13(20)23-8-11(21)9-4-3-5-10(7-9)14(15,16)17/h3-5,7H,2,6,8H2,1H3,(H,18,22)