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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-(2,4-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-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)S)C

Isomeric SMILES

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

InChI

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