2-(phenylmethylsulfanyl)-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one

Systemtic Name: 2-(phenylmethylsulfanyl)-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one Openeye Name: 2-benzylsulfanyl-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one CAS Name: 2-(phenylmethylthio)-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one IUPAC Name: 2-benzylsulfanyl-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one Traditional Name: 2-(benzylthio)-5H-pyridazino[6,1-b]quinazolin-11-ium-10-one Formula: C18H14N3OS+ MolecularWeight: 320.38826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=N[N+]3=C(C=C2)NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=N[N+]3=C(C=C2)NC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13N3OS/c22-18-14-8-4-5-9-15(14)19-16-10-11-17(20-21(16)18)23-12-13-6-2-1-3-7-13/h1-11H,12H2/p+1