1-[2-oxidanyl-4-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]-3-propyl-phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-4-[(3-oxidanylpyridin-2-yl)sulfanylmethyl]-3-propyl-phenyl]ethanone Openeye Name: 1-[2-hydroxy-4-[(3-hydroxy-2-pyridyl)sulfanylmethyl]-3-propyl-phenyl]ethanone CAS Name: 1-[2-hydroxy-4-[[(3-hydroxy-2-pyridinyl)thio]methyl]-3-propylphenyl]ethanone IUPAC Name: 1-[2-hydroxy-4-[(3-hydroxypyridin-2-yl)sulfanylmethyl]-3-propylphenyl]ethanone Traditional Name: 1-[2-hydroxy-4-[[(3-hydroxy-2-pyridyl)thio]methyl]-3-propyl-phenyl]ethanone Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C=CC=N2)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=C(C=CC=N2)O

InChI

InChI=1S/C17H19NO3S/c1-3-5-14-12(7-8-13(11(2)19)16(14)21)10-22-17-15(20)6-4-9-18-17/h4,6-9,20-21H,3,5,10H2,1-2H3