4-butyl-3-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(3-fluorophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(3-fluorophenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H16FN3O2S MolecularWeight: 309.359143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C14H16FN3O2S/c1-2-3-7-18-13(20)16-17-14(18)21-9-12(19)10-5-4-6-11(15)8-10/h4-6,8H,2-3,7,9H2,1H3,(H,16,20)