5-(4-methylphenyl)sulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one

Systemtic Name: 5-(4-methylphenyl)sulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Openeye Name: 5-(p-tolylsulfanyl)-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one CAS Name: 5-[(4-methylphenyl)thio]-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one IUPAC Name: 5-(4-methylphenyl)sulfanyl-13H-quinazolino[2,3-a]phthalazin-7-ium-8-one Traditional Name: 5-(p-tolylthio)-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:

CC1=CC=C(C=C1)SC2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=N[N+]3=C(C4=CC=CC=C42)NC5=CC=CC=C5C3=O

InChI

InChI=1S/C22H15N3OS/c1-14-10-12-15(13-11-14)27-21-17-7-3-2-6-16(17)20-23-19-9-5-4-8-18(19)22(26)25(20)24-21/h2-13H,1H3/p+1