1-(3,4-dichlorophenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-mercapto-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-toluidino)prop-2-en-1-one Formula: C22H19Cl2N2OS+ MolecularWeight: 430.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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