(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-(2-pyrimidin-2-ylsulfanylethyl)prop-2-enamide

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-(2-pyrimidin-2-ylsulfanylethyl)prop-2-enamide Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-(2-pyrimidin-2-ylsulfanylethyl)prop-2-enamide CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(2-pyrimidinylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-pyrimidin-2-ylsulfanylethyl)prop-2-enamide Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[2-(2-pyrimidylthio)ethyl]acrylamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)NCCSC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)NCCSC2=NC=CC=N2

InChI

InChI=1S/C23H31N3O2S/c1-22(2,3)17-14-16(15-18(20(17)28)23(4,5)6)8-9-19(27)24-12-13-29-21-25-10-7-11-26-21/h7-11,14-15,28H,12-13H2,1-6H3,(H,24,27)/b9-8+