(E)-1-(2,4-dichlorophenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(2,4-dichlorophenyl)-3-[(2,6-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H18Cl2N2OS MolecularWeight: 429.36212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)C(=C(C2=C(C=C(C=C2)Cl)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)/C(=C(/C2=C(C=C(C=C2)Cl)Cl)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C22H18Cl2N2OS/c1-14-7-6-8-15(2)19(14)25-22(28)20(26-11-4-3-5-12-26)21(27)17-10-9-16(23)13-18(17)24/h3-13H,1-2H3,(H-,25,27,28)