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

Systemtic Name: 5-(phenylmethylsulfanyl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Openeye Name: 5-benzylsulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one CAS Name: 5-(phenylmethylthio)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one IUPAC Name: 5-benzylsulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Traditional Name: 5-(benzylthio)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Formula: C22H16N3OS+ MolecularWeight: 370.44694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

InChI

InChI=1S/C22H15N3OS/c26-22-18-12-6-7-13-19(18)23-20-16-10-4-5-11-17(16)21(24-25(20)22)27-14-15-8-2-1-3-9-15/h1-13H,14H2/p+1