(E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(m-toluidino)-3-thioxo-prop-1-en-1-olate Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2S/c1-18-7-6-8-21(17-18)27-25(31)23(24(29)19-9-11-22(30-5)12-10-19)28-15-13-20(14-16-28)26(2,3)4/h6-17H,1-5H3,(H-,27,29,31)