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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-1-(4-nitrophenyl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(3,5-dimethylanilino)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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