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

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(2,6-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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

InChI

InChI=1S/C23H21N3O3S/c1-15-6-5-13-25(14-15)21(22(27)18-9-11-19(12-10-18)26(28)29)23(30)24-20-16(2)7-4-8-17(20)3/h4-14H,1-3H3,(H-,24,27,30)/p+1