1-(2-bromophenyl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-bromophenyl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-bromophenyl)-3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-(2,6-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-bromophenyl)-3-(2,6-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=C(C=CC=C2C)C)S)C(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=C(C=CC=C2C)C)S)C(=O)C3=CC=CC=C3Br

InChI

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