2-azanyl-4-ethyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-ethyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-ethyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-ethylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-ethyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C16H15N4S+ MolecularWeight: 295.3821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC2=CC=CC=C2)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC2=CC=CC=C2)N)C#N

InChI

InChI=1S/C16H14N4S/c1-2-12-13(8-17)15(19)20-16(14(12)9-18)21-10-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,19,20)/p+1