1-(3,4-dimethylphenyl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C25H27N2OS+ MolecularWeight: 403.55968

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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(=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2OS/c1-16-8-7-13-27(15-16)23(24(28)21-12-11-17(2)20(5)14-21)25(29)26-22-18(3)9-6-10-19(22)4/h6-15H,1-5H3,(H-,26,28,29)/p+1