5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyl-tetrazole CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-ethyltetrazole IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-ethyltetrazole Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-ethyl-tetrazole Formula: C12H13BrN4O2S MolecularWeight: 357.22622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCN1C(=NN=N1)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C12H13BrN4O2S/c1-2-17-12(14-15-16-17)20-7-8-5-10-11(6-9(8)13)19-4-3-18-10/h5-6H,2-4,7H2,1H3