2-azanyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H11N4OS+ MolecularWeight: 295.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C15H10N4OS/c16-7-11-6-12(8-17)15(19-14(11)18)21-9-13(20)10-4-2-1-3-5-10/h1-6H,9H2,(H2,18,19)/p+1