2-[2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)amino]ethylthio]methyl]benzonitrile Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC2=CC(=O)[N+]3=CC=CC=C3N2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC2=CC(=O)[N+]3=CC=CC=C3N2)C#N

InChI

InChI=1S/C18H16N4OS/c19-12-14-5-1-2-6-15(14)13-24-10-8-20-16-11-18(23)22-9-4-3-7-17(22)21-16/h1-7,9,11H,8,10,13H2,(H,20,23)/p+1