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

Systemtic Name: 3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2,5-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18N2OS2 MolecularWeight: 366.49972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC=C3

InChI

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