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

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-tert-butyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-tert-butyl-tetrazole CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-tert-butyltetrazole IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-tert-butyltetrazole Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-tert-butyl-tetrazole Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H17BrN4O2S/c1-14(2,3)19-13(16-17-18-19)22-8-9-6-11-12(7-10(9)15)21-5-4-20-11/h6-7H,4-5,8H2,1-3H3