2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C17H14BrN4OS+ MolecularWeight: 402.28826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C17H13BrN4OS/c1-10-5-11(2)20-17(14(10)7-19)24-9-13-6-16(23)22-8-12(18)3-4-15(22)21-13/h3-6,8H,9H2,1-2H3/p+1