2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C16H10N3O2S2+ MolecularWeight: 340.3995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C(=O)[N+]4=CC=CC=C4N3)C=O

InChI

InChI=1S/C16H9N3O2S2/c20-9-10-14(18-13-7-3-4-8-19(13)15(10)21)23-16-17-11-5-1-2-6-12(11)22-16/h1-9H/p+1