1-(2,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,4-dichlorophenyl)-3-(3,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,4-dichlorophenyl)-3-(3,5-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,4-dichlorophenyl)-3-(3,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,4-dichlorophenyl)-3-(3,5-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(=CC(=C1)NC(=C(C(=O)C2=C(C=C(C=C2)Cl)Cl)[N+]3=CC=CC=C3)S)C

Isomeric SMILES

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

InChI

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