5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-methyl-1,2,3,4-tetrazole

Systemtic Name: 5-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-methyl-1,2,3,4-tetrazole Openeye Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-methyl-tetrazole CAS Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-methyltetrazole IUPAC Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1-methyltetrazole Traditional Name: 5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-1-methyl-tetrazole Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=N1)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C17H15FN4O2S/c1-22-17(19-20-21-22)25-10-13-8-14(18)7-12-9-23-16(24-15(12)13)11-5-3-2-4-6-11/h2-8,16H,9-10H2,1H3/t16-/m0/s1