2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]nicotinate Formula: C15H10BrN3O3S MolecularWeight: 392.2272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C(=O)[O-]

InChI

InChI=1S/C15H10BrN3O3S/c16-9-3-4-12-18-10(6-13(20)19(12)7-9)8-23-14-11(15(21)22)2-1-5-17-14/h1-7H,8H2,(H,21,22)