6-chloranyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl]methylsulfanyl]-6H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[3-(2-fluorophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl]methylsulfanyl]-6H-quinazolin-4-one Openeye Name: 6-chloro-2-[[3-(2-fluorophenyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]methylsulfanyl]-6H-quinazolin-4-one CAS Name: 6-chloro-2-[[3-(2-fluorophenyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]methylthio]-6H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[3-(2-fluorophenyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]methylsulfanyl]-6H-quinazolin-4-one Traditional Name: 6-chloro-2-[[3-(2-fluorophenyl)-4-keto-4aH-quinazolin-3-ium-2-yl]methylthio]-6H-quinazolin-4-one Formula: C23H15ClFN4O2S+ MolecularWeight: 465.907203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CSC4=NC(=O)C5=CC(C=CC5=N4)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CSC4=NC(=O)C5=CC(C=CC5=N4)Cl)F

InChI

InChI=1S/C23H15ClFN4O2S/c24-13-9-10-18-15(11-13)21(30)28-23(27-18)32-12-20-26-17-7-3-1-5-14(17)22(31)29(20)19-8-4-2-6-16(19)25/h1-11,13-14H,12H2/q+1