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

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[2-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)ethoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[2-(2H-tetrazol-5-ylsulfanyl)ethoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[2-(2H-tetrazol-5-ylthio)ethoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[2-(2H-tetrazol-5-ylsulfanyl)ethoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[2-(2H-tetrazol-5-ylthio)ethoxy]phenyl]ethanone Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=NNN=N2

InChI

InChI=1S/C14H18N4O3S/c1-3-4-11-12(6-5-10(9(2)19)13(11)20)21-7-8-22-14-15-17-18-16-14/h5-6,20H,3-4,7-8H2,1-2H3,(H,15,16,17,18)