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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(2,4-dimethylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(2,4-dimethylanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,4-dimethylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(2,4-dimethylanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C27H31N2OS+ MolecularWeight: 431.61284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2OS/c1-18-9-14-23(20(3)16-18)28-26(31)24(29-15-7-8-19(2)17-29)25(30)21-10-12-22(13-11-21)27(4,5)6/h7-17H,1-6H3,(H-,28,30,31)/p+1