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

Systemtic Name: 3-[(3-methoxyphenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-methoxyanilino)-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-(3-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-methoxyanilino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(m-anisidino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22N3O4S+ MolecularWeight: 436.50348

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-15-6-5-11-25(14-15)21(23(31)24-18-7-4-8-19(13-18)30-3)22(27)17-10-9-16(2)20(12-17)26(28)29/h4-14H,1-3H3,(H-,24,27,31)/p+1