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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-thioxo-prop-1-en-1-olate Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2OS/c1-17-13-18(2)15-22(14-17)28-25(31)23(24(30)19-7-6-8-21(27)16-19)29-11-9-20(10-12-29)26(3,4)5/h6-16H,1-5H3,(H-,28,30,31)