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

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-dimethylanilino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H24N3O3S+ MolecularWeight: 434.53066

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-15-7-6-12-26(14-15)22(24(31)25-21-17(3)8-5-9-18(21)4)23(28)19-11-10-16(2)20(13-19)27(29)30/h5-14H,1-4H3,(H-,25,28,31)/p+1