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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(4-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(4-methoxyanilino)-2-(3-methyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(4-methoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(p-anisidino)-3-thioxo-prop-1-en-1-olate Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)C(C)(C)C)[O-])C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)C(C)(C)C)/[O-])/C(=S)NC3=CC=C(C=C3)OC

InChI

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