9-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile

Systemtic Name: 9-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Openeye Name: 2-benzylsulfanyl-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile CAS Name: 9-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Formula: C17H14N3OS+ MolecularWeight: 308.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C17H13N3OS/c1-12-6-5-9-20-15(12)19-16(14(10-18)17(20)21)22-11-13-7-3-2-4-8-13/h2-9H,11H2,1H3/p+1