2-azanyl-4-ethyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-ethyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-[[2-keto-2-(p-tolyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4OS/c1-3-13-14(8-19)17(21)22-18(15(13)9-20)24-10-16(23)12-6-4-11(2)5-7-12/h4-7H,3,10H2,1-2H3,(H2,21,22)/p+1