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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-[(4-ethoxyphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-mercapto-3-(p-phenetidino)prop-2-en-1-one Formula: C28H33N2O2S+ MolecularWeight: 461.63882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1