1-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(3,4-dimethylphenyl)-2-(3-methylolpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC(=C3)CO)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC(=C3)CO)[O-])C

InChI

InChI=1S/C23H22N2O2S/c1-16-10-11-19(13-17(16)2)22(27)21(25-12-6-7-18(14-25)15-26)23(28)24-20-8-4-3-5-9-20/h3-14,26H,15H2,1-2H3,(H-,24,27,28)