4-(3,5-ditert-butylthiophen-2-yl)phenol; 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 4-(3,5-ditert-butylthiophen-2-yl)phenol; 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 4-(3,5-ditert-butyl-2-thienyl)phenol; 2-ethylsulfanyl-N-(2-pyridylmethyl)acetamide CAS Name: 4-(3,5-ditert-butyl-2-thiophenyl)phenol; 2-(ethylthio)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 4-(3,5-ditert-butylthiophen-2-yl)phenol; 2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 4-(3,5-ditert-butyl-2-thienyl)phenol; 2-(ethylthio)-N-(2-pyridylmethyl)acetamide Formula: C28H38N2O2S2 MolecularWeight: 498.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)NCC1=CC=CC=N1.CC(C)(C)C1=CC(=C(S1)C2=CC=C(C=C2)O)C(C)(C)C

Isomeric SMILES

CCSCC(=O)NCC1=CC=CC=N1.CC(C)(C)C1=CC(=C(S1)C2=CC=C(C=C2)O)C(C)(C)C

InChI

InChI=1S/C18H24OS.C10H14N2OS/c1-17(2,3)14-11-15(18(4,5)6)20-16(14)12-7-9-13(19)10-8-12;1-2-14-8-10(13)12-7-9-5-3-4-6-11-9/h7-11,19H,1-6H3;3-6H,2,7-8H2,1H3,(H,12,13)