2-azanyl-4-ethyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-ethyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15N4OS+ MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=CC=C2)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=CC=C2)N)C#N

InChI

InChI=1S/C17H14N4OS/c1-2-12-13(8-18)16(20)21-17(14(12)9-19)23-10-15(22)11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,20,21)/p+1