1-[2-oxidanyl-3-propyl-4-[7-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)heptoxy]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[7-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)heptoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[7-(2H-tetrazol-5-ylsulfanyl)heptoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[7-(2H-tetrazol-5-ylthio)heptoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[7-(2H-tetrazol-5-ylsulfanyl)heptoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[7-(2H-tetrazol-5-ylthio)heptoxy]phenyl]ethanone Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCCSC2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCCSC2=NNN=N2

InChI

InChI=1S/C19H28N4O3S/c1-3-9-16-17(11-10-15(14(2)24)18(16)25)26-12-7-5-4-6-8-13-27-19-20-22-23-21-19/h10-11,25H,3-9,12-13H2,1-2H3,(H,20,21,22,23)