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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 2-[(2-fluorophenyl)methylthio]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 2-[(2-fluorobenzyl)thio]-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C22H18FN5O3S MolecularWeight: 451.473423

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=C(C=C5)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4F)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C22H18FN5O3S/c23-16-5-2-1-4-14(16)12-32-22-25-21-24-17-6-3-7-18(29)19(17)20(27(21)26-22)13-8-10-15(11-9-13)28(30)31/h1-2,4-5,8-11,20H,3,6-7,12H2,(H,24,25,26)