1-(2-bromophenyl)-3-[(3,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-bromophenyl)-3-[(3,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-bromophenyl)-3-(3,5-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-(3,5-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(3,5-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-bromophenyl)-3-(3,5-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22BrN2OS+ MolecularWeight: 454.40258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=CC(=C2)C)C)S)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC(=CC(=C2)C)C)S)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H21BrN2OS/c1-15-7-6-10-26(14-15)21(22(27)19-8-4-5-9-20(19)24)23(28)25-18-12-16(2)11-17(3)13-18/h4-14H,1-3H3,(H-,25,27,28)/p+1