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

Systemtic Name: 3-[(4-chlorophenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-(4-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[N+](=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=C(C=C3)Cl)CO

Isomeric SMILES

C1=CC(=C[N+](=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=C(C=C3)Cl)CO

InChI

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