1-[2-oxidanyl-3-prop-2-enyl-4-[3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-prop-2-enyl-4-[3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)propoxy]phenyl]ethanone Openeye Name: 1-[3-allyl-2-hydroxy-4-[3-(2H-tetrazol-5-ylmethylsulfanyl)propoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-prop-2-enyl-4-[3-(2H-tetrazol-5-ylmethylthio)propoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-prop-2-enyl-4-[3-(2H-tetrazol-5-ylmethylsulfanyl)propoxy]phenyl]ethanone Traditional Name: 1-[3-allyl-2-hydroxy-4-[3-(2H-tetrazol-5-ylmethylthio)propoxy]phenyl]ethanone Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCSCC2=NNN=N2)CC=C)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCSCC2=NNN=N2)CC=C)O

InChI

InChI=1S/C16H20N4O3S/c1-3-5-13-14(7-6-12(11(2)21)16(13)22)23-8-4-9-24-10-15-17-19-20-18-15/h3,6-7,22H,1,4-5,8-10H2,2H3,(H,17,18,19,20)