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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(2-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(5-chloro-2-thienyl)-3-(2-ethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(5-chloro-2-thiophenyl)-3-(2-ethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(2-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(5-chloro-2-thienyl)-3-(2-ethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H17ClN2OS2 MolecularWeight: 400.94478

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2OS2/c1-2-14-8-4-5-9-15(14)22-20(25)18(23-12-6-3-7-13-23)19(24)16-10-11-17(21)26-16/h3-13H,2H2,1H3,(H-,22,24,25)