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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2-ethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-ethylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-ethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C21H19ClN2OS2/c1-3-15-8-4-5-9-16(15)23-21(26)19(24-12-6-7-14(2)13-24)20(25)17-10-11-18(22)27-17/h4-13H,3H2,1-2H3,(H-,23,25,26)