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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(3-methoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(3-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(3-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(m-anisidino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2S/c1-16-7-6-12-26(15-16)22(23(27)19-11-10-17(2)18(3)13-19)24(29)25-20-8-5-9-21(14-20)28-4/h5-15H,1-4H3,(H-,25,27,29)/p+1