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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,4-dimethoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(3,4-dimethoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(3,4-dimethoxyphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(3,4-dimethoxyphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(3,4-dimethoxyphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C24H24ClN2O3S+ MolecularWeight: 455.97696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O3S/c1-15-7-6-12-27(14-15)22(24(31)26-19-9-5-8-18(25)16(19)2)23(28)17-10-11-20(29-3)21(13-17)30-4/h5-14H,1-4H3,(H-,26,28,31)/p+1