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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3,5-dimethylanilino)-3-mercapto-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-3-mercapto-1-(4-nitrophenyl)prop-2-en-1-one Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-17-14-18(2)16-21(15-17)27-25(33)23(28-12-10-20(11-13-28)26(3,4)5)24(30)19-6-8-22(9-7-19)29(31)32/h6-16H,1-5H3,(H-,27,30,33)/p+1