2-phenethyl-6-(3-pyridin-4-ylsulfanylpropyl)-2,3-dihydro-1-benzofuran-5-ol

Systemtic Name: 2-phenethyl-6-(3-pyridin-4-ylsulfanylpropyl)-2,3-dihydro-1-benzofuran-5-ol Openeye Name: 2-phenethyl-6-[3-(4-pyridylsulfanyl)propyl]-2,3-dihydrobenzofuran-5-ol CAS Name: 2-phenethyl-6-[3-(pyridin-4-ylthio)propyl]-2,3-dihydrobenzofuran-5-ol IUPAC Name: 2-phenethyl-6-(3-pyridin-4-ylsulfanylpropyl)-2,3-dihydro-1-benzofuran-5-ol Traditional Name: 2-phenethyl-6-[3-(4-pyridylthio)propyl]coumaran-5-ol Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC(=C(C=C21)O)CCCSC3=CC=NC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC(=C(C=C21)O)CCCSC3=CC=NC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO2S/c26-23-16-20-15-21(9-8-18-5-2-1-3-6-18)27-24(20)17-19(23)7-4-14-28-22-10-12-25-13-11-22/h1-3,5-6,10-13,16-17,21,26H,4,7-9,14-15H2