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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(2-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(o-toluidino)prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-16-8-7-13-26(15-16)22(23(27)20-12-11-17(2)19(4)14-20)24(28)25-21-10-6-5-9-18(21)3/h5-15H,1-4H3,(H-,25,27,28)/p+1