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

Systemtic Name: 3-[(2-chlorophenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(2-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(2-chloroanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(2-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(2-chloroanilino)-2-(3-methylolpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C19H15ClN2O2S2 MolecularWeight: 402.9176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O2S2/c20-14-6-1-2-7-15(14)21-19(25)17(18(24)16-8-4-10-26-16)22-9-3-5-13(11-22)12-23/h1-11,23H,12H2,(H-,21,24,25)