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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-[(4-ethoxyphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(p-phenetidino)-3-thioxo-prop-1-en-1-olate Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC(=C(C=C2)C)C)[O-])[N+]3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)C(=C(C2=CC(=C(C=C2)C)C)[O-])[N+]3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H32N2O2S/c1-7-32-24-12-10-23(11-13-24)29-27(33)25(26(31)21-9-8-19(2)20(3)18-21)30-16-14-22(15-17-30)28(4,5)6/h8-18H,7H2,1-6H3,(H-,29,31,33)