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

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-keto-2-(p-tolyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C22H17N4O2S+ MolecularWeight: 401.46098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C22H16N4O2S/c1-13-2-4-14(5-3-13)19(28)12-29-22-18(11-24)20(17(10-23)21(25)26-22)15-6-8-16(27)9-7-15/h2-9,27H,12H2,1H3,(H2,25,26)/p+1