2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(2-ethoxyphenyl)amino]-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(2-ethoxyphenyl)amino]-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-ethoxyanilino)-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2-ethoxyanilino)-3-mercapto-1-(2,4,5-trimethylphenyl)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-ethoxyanilino)-3-sulfanyl-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(o-phenetidino)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one Formula: C29H35N2O2S+ MolecularWeight: 475.6654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2C)C)C)[N+]3=CC=C(C=C3)C(C)(C)C)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2C)C)C)[N+]3=CC=C(C=C3)C(C)(C)C)S

InChI

InChI=1S/C29H34N2O2S/c1-8-33-25-12-10-9-11-24(25)30-28(34)26(31-15-13-22(14-16-31)29(5,6)7)27(32)23-18-20(3)19(2)17-21(23)4/h9-18H,8H2,1-7H3,(H-,30,32,34)/p+1