1-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(5-chloro-2-thienyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(5-chloro-2-thiophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(5-chloro-2-thienyl)-2-(3-methylolpyridin-1-ium-1-yl)-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=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=C(S2)Cl)[O-])[N+]3=CC=CC(=C3)CO

InChI

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