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

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-[(3-methylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-(3-methylanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-(3-methylanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-(3-methylolpyridin-1-ium-1-yl)-3-(m-toluidino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H18N2O2S2 MolecularWeight: 382.49912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S2/c1-14-5-2-7-16(11-14)21-20(25)18(19(24)17-8-4-10-26-17)22-9-3-6-15(12-22)13-23/h2-12,23H,13H2,1H3,(H-,21,24,25)