3-[(4-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-[(4-ethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(4-ethylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-ethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(4-ethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(4-ethylanilino)-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:

CCC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS2/c1-2-15-8-10-16(11-9-15)21-20(24)18(22-12-4-3-5-13-22)19(23)17-7-6-14-25-17/h3-14H,2H2,1H3,(H-,21,23,24)