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

Systemtic Name: 3-[(3-chlorophenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(3-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-chloroanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(3-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(3-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(=CC(=C1)Cl)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

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

InChI

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