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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(3,4-dichlorophenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(3,4-dichlorophenyl)-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(3,4-dichlorophenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(3,4-dichlorophenyl)-3-(o-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16Cl2N2OS MolecularWeight: 415.33554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)C(=C(C2=CC(=C(C=C2)Cl)Cl)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)C(=C(C2=CC(=C(C=C2)Cl)Cl)[O-])[N+]3=CC=CC=C3

InChI

InChI=1S/C21H16Cl2N2OS/c1-14-7-3-4-8-18(14)24-21(27)19(25-11-5-2-6-12-25)20(26)15-9-10-16(22)17(23)13-15/h2-13H,1H3,(H-,24,26,27)