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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H16BrN4OS+ MolecularWeight: 416.31484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4OS/c1-10-11(2)15(7-20)18(21-12(10)3)25-9-14-6-17(24)23-8-13(19)4-5-16(23)22-14/h4-6,8H,9H2,1-3H3/p+1