2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzonitrile CAS Name: 2-[[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]methyl]benzonitrile IUPAC Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]methyl]benzonitrile Formula: C18H16N3OS+ MolecularWeight: 322.40414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H15N3OS/c1-13-6-7-17-20-16(8-18(22)21(17)10-13)12-23-11-15-5-3-2-4-14(15)9-19/h2-8,10H,11-12H2,1H3/p+1