[4-[2-azanyl-3,5-dicyano-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-4-yl]phenyl] ethanoate

Systemtic Name: [4-[2-azanyl-3,5-dicyano-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-4-yl]phenyl] ethanoate Openeye Name: [4-[2-amino-3,5-dicyano-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridin-1-ium-4-yl]phenyl] acetate CAS Name: acetic acid [4-[2-amino-3,5-dicyano-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-pyridin-1-iumyl]phenyl] ester IUPAC Name: [4-[2-amino-3,5-dicyano-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[2-amino-3,5-dicyano-6-[[2-keto-2-(p-tolyl)ethyl]thio]pyridin-1-ium-4-yl]phenyl] ester Formula: C24H19N4O3S+ MolecularWeight: 443.49766

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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)OC(=O)C)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)OC(=O)C)C#N

InChI

InChI=1S/C24H18N4O3S/c1-14-3-5-16(6-4-14)21(30)13-32-24-20(12-26)22(19(11-25)23(27)28-24)17-7-9-18(10-8-17)31-15(2)29/h3-10H,13H2,1-2H3,(H2,27,28)/p+1