3-[(2,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(2,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2,4-dimethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H20N2OS2/c1-14-8-9-17(16(3)12-14)22-21(25)19(20(24)18-7-5-11-26-18)23-10-4-6-15(2)13-23/h4-13H,1-3H3,(H-,22,24,25)