2-oxidanyl-1-[3-propyl-4-[3-(2H-1,2,3-triazol-4-ylsulfanyl)propoxy]phenyl]ethanone

Systemtic Name: 2-oxidanyl-1-[3-propyl-4-[3-(2H-1,2,3-triazol-4-ylsulfanyl)propoxy]phenyl]ethanone Openeye Name: 2-hydroxy-1-[3-propyl-4-[3-(2H-triazol-4-ylsulfanyl)propoxy]phenyl]ethanone CAS Name: 2-hydroxy-1-[3-propyl-4-[3-(2H-triazol-4-ylthio)propoxy]phenyl]ethanone IUPAC Name: 2-hydroxy-1-[3-propyl-4-[3-(2H-triazol-4-ylsulfanyl)propoxy]phenyl]ethanone Traditional Name: 2-hydroxy-1-[3-propyl-4-[3-(2H-triazol-4-ylthio)propoxy]phenyl]ethanone Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NNN=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=NNN=C2

InChI

InChI=1S/C16H21N3O3S/c1-2-4-13-9-12(14(21)11-20)5-6-15(13)22-7-3-8-23-16-10-17-19-18-16/h5-6,9-10,20H,2-4,7-8,11H2,1H3,(H,17,18,19)