(E)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(2,6-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2OS2/c1-14-8-6-9-15(2)17(14)21-20(24)18(22-11-4-3-5-12-22)19(23)16-10-7-13-25-16/h3-13H,1-2H3,(H-,21,23,24)