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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-[(2-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2-methylanilino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-3-(2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(o-toluidino)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=CC=CC=C2C)S)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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