4-butyl-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[2-(4-fluorophenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(4-fluorophenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(4-fluorophenyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C16H17FN4OS2 MolecularWeight: 364.460783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4OS2/c1-2-3-8-21-15(22)19-20-16(21)24-10-13-9-23-14(18-13)11-4-6-12(17)7-5-11/h4-7,9H,2-3,8,10H2,1H3,(H,19,22)