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

Systemtic Name: 1-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(2-chlorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(2-chlorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(2-chlorophenyl)-2-(3-methylolpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CC=C2Cl)[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC=CC=C2Cl)[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C21H17ClN2O2S/c22-18-11-5-4-10-17(18)20(26)19(24-12-6-7-15(13-24)14-25)21(27)23-16-8-2-1-3-9-16/h1-13,25H,14H2,(H-,23,26,27)