1-[2-oxidanyl-3-propyl-4-[6-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)hexoxy]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[6-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)hexoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[6-(2H-tetrazol-5-ylsulfanyl)hexoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[6-(2H-tetrazol-5-ylthio)hexoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[6-(2H-tetrazol-5-ylsulfanyl)hexoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[6-(2H-tetrazol-5-ylthio)hexoxy]phenyl]ethanone Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCSC2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCSC2=NNN=N2

InChI

InChI=1S/C18H26N4O3S/c1-3-8-15-16(10-9-14(13(2)23)17(15)24)25-11-6-4-5-7-12-26-18-19-21-22-20-18/h9-10,24H,3-8,11-12H2,1-2H3,(H,19,20,21,22)