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

Systemtic Name: 3-[(4-chlorophenyl)amino]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 3-(4-chloroanilino)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 3-(4-chloroanilino)-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C19H16ClN2O2S2+ MolecularWeight: 403.92554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC=CS3)CO

Isomeric SMILES

C1=CC(=C[N+](=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC=CS3)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)/p+1