3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-6-phenyl-2H-1,2,4-triazin-5-one Formula: C19H16FN3O2S MolecularWeight: 369.412643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O2S/c20-15-10-8-13(9-11-15)16(24)7-4-12-26-19-21-18(25)17(22-23-19)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2,(H,21,23,25)