1-[2-oxidanyl-3-propyl-4-[8-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)octoxy]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[8-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)octoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[8-(2H-tetrazol-5-ylsulfanyl)octoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[8-(2H-tetrazol-5-ylthio)octoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[8-(2H-tetrazol-5-ylsulfanyl)octoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[8-(2H-tetrazol-5-ylthio)octoxy]phenyl]ethanone Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCCCSC2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCCCSC2=NNN=N2

InChI

InChI=1S/C20H30N4O3S/c1-3-10-17-18(12-11-16(15(2)25)19(17)26)27-13-8-6-4-5-7-9-14-28-20-21-23-24-22-20/h11-12,26H,3-10,13-14H2,1-2H3,(H,21,22,23,24)