(E)-3-[(3,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-3-[(3,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-3-(3,5-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3,5-dimethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-3-(3,5-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-3-(3,5-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=C[N+](=CC=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=CS2)/[O-])/C(=S)NC3=CC(=CC(=C3)C)C

InChI

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