1-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,5-dimethylanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,5-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,5-dimethylanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,5-dimethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C25H27N2OS+ MolecularWeight: 403.55968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C25H26N2OS/c1-16-8-9-19(4)22(13-16)26-25(29)23(27-12-6-7-17(2)15-27)24(28)21-11-10-18(3)20(5)14-21/h6-15H,1-5H3,(H-,26,28,29)/p+1