1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(2-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(2-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(2-methylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-(2-methylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-ethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(2-methylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-ethylphenyl)-2-(3-methylolpyridin-1-ium-1-yl)-3-(o-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2C)[N+]3=CC=CC(=C3)CO)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2C)[N+]3=CC=CC(=C3)CO)[O-]

InChI

InChI=1S/C24H24N2O2S/c1-3-18-10-12-20(13-11-18)23(28)22(26-14-6-8-19(15-26)16-27)24(29)25-21-9-5-4-7-17(21)2/h4-15,27H,3,16H2,1-2H3,(H-,25,28,29)