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

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[4-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-ylsulfanyl)butoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-ylthio)butoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-ylsulfanyl)butoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-ylthio)butoxy]phenyl]ethanone Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=NNN=N2

InChI

InChI=1S/C16H22N4O3S/c1-3-6-13-14(8-7-12(11(2)21)15(13)22)23-9-4-5-10-24-16-17-19-20-18-16/h7-8,22H,3-6,9-10H2,1-2H3,(H,17,18,19,20)