5-(diphenylmethyl)sulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one

Systemtic Name: 5-(diphenylmethyl)sulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Openeye Name: 5-benzhydrylsulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one CAS Name: 5-[(diphenylmethyl)thio]-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one IUPAC Name: 5-benzhydrylsulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Traditional Name: 5-(benzhydrylthio)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Formula: C28H20N3OS+ MolecularWeight: 446.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=N[N+]4=C(C5=CC=CC=C53)NC6=CC=CC=C6C4=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SC3=N[N+]4=C(C5=CC=CC=C53)NC6=CC=CC=C6C4=O

InChI

InChI=1S/C28H19N3OS/c32-28-23-17-9-10-18-24(23)29-26-21-15-7-8-16-22(21)27(30-31(26)28)33-25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H/p+1