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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2C)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

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