2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H11BrN3OS2+ MolecularWeight: 405.31204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C16H10BrN3OS2/c17-10-5-6-14-18-11(7-15(21)20(14)8-10)9-22-16-19-12-3-1-2-4-13(12)23-16/h1-8H,9H2/p+1