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

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-propan-2-yl-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-isopropyl-tetrazole CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-propan-2-yltetrazole IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-propan-2-yltetrazole Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-isopropyl-tetrazole Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4O2S/c1-8(2)18-13(15-16-17-18)21-7-9-5-11-12(6-10(9)14)20-4-3-19-11/h5-6,8H,3-4,7H2,1-2H3