9-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 9-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 9-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 9-(3-fluorophenyl)-2-[(2-fluorophenyl)methylthio]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 9-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-[(2-fluorobenzyl)thio]-9-(3-fluorophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C22H18F2N4OS MolecularWeight: 424.466326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4F)C5=CC(=CC=C5)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4F)C5=CC(=CC=C5)F)C(=O)C1

InChI

InChI=1S/C22H18F2N4OS/c23-15-7-3-6-13(11-15)20-19-17(9-4-10-18(19)29)25-21-26-22(27-28(20)21)30-12-14-5-1-2-8-16(14)24/h1-3,5-8,11,20H,4,9-10,12H2,(H,25,26,27)