6-fluoranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one

Systemtic Name: 6-fluoranyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one Openeye Name: 6-fluoro-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one CAS Name: 6-fluoro-3-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-4-quinazolinone IUPAC Name: 6-fluoro-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-one Traditional Name: 6-fluoro-3-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]quinazolin-4-one Formula: C12H10FN5OS MolecularWeight: 291.304103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=O)N(C=N2)CCSC3=NC=NN3

Isomeric SMILES

C1=CC2=C(C=C1F)C(=O)N(C=N2)CCSC3=NC=NN3

InChI

InChI=1S/C12H10FN5OS/c13-8-1-2-10-9(5-8)11(19)18(7-15-10)3-4-20-12-14-6-16-17-12/h1-2,5-7H,3-4H2,(H,14,16,17)