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

Systemtic Name: 2-azanyl-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H13N4O2S+ MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H12N4O2S/c1-22-13-4-2-10(3-5-13)14(21)9-23-16-12(8-18)6-11(7-17)15(19)20-16/h2-6H,9H2,1H3,(H2,19,20)/p+1