(E)-1-(3,4-dichlorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dichlorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dichlorophenyl)-3-(m-anisidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16Cl2N2O2S MolecularWeight: 431.33494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)C(=C(C2=CC(=C(C=C2)Cl)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)/C(=C(/C2=CC(=C(C=C2)Cl)Cl)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H16Cl2N2O2S/c1-27-16-7-5-6-15(13-16)24-21(28)19(25-10-3-2-4-11-25)20(26)14-8-9-17(22)18(23)12-14/h2-13H,1H3,(H-,24,26,28)