3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,2,4-triazole Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

C=CCN1C=NN=C1SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H14BrN3O2S/c1-2-3-18-9-16-17-14(18)21-8-10-6-12-13(7-11(10)15)20-5-4-19-12/h2,6-7,9H,1,3-5,8H2