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

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-cyclopropyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-cyclopropyl-tetrazole CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-cyclopropyltetrazole IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-cyclopropyltetrazole Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-cyclopropyl-tetrazole Formula: C13H13BrN4O2S MolecularWeight: 369.23692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C13H13BrN4O2S/c14-10-6-12-11(19-3-4-20-12)5-8(10)7-21-13-15-16-17-18(13)9-1-2-9/h5-6,9H,1-4,7H2