1-(5-chloranylthiophen-2-yl)-3-[(2,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(5-chloro-2-thienyl)-3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2,4-dimethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(5-chloro-2-thienyl)-3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C21H19ClN2OS2 MolecularWeight: 414.97136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H19ClN2OS2/c1-13-6-7-16(15(3)11-13)23-21(26)19(24-10-4-5-14(2)12-24)20(25)17-8-9-18(22)27-17/h4-12H,1-3H3,(H-,23,25,26)