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

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(p-tolyl)ethyl]thio]-4-p-phenetyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C24H21N4O2S+ MolecularWeight: 429.51414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)C)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)C)N)C#N

InChI

InChI=1S/C24H20N4O2S/c1-3-30-18-10-8-17(9-11-18)22-19(12-25)23(27)28-24(20(22)13-26)31-14-21(29)16-6-4-15(2)5-7-16/h4-11H,3,14H2,1-2H3,(H2,27,28)/p+1