3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C12H13BrN4O2S/c1-7-15-16-12(17(7)14)20-6-8-4-10-11(5-9(8)13)19-3-2-18-10/h4-5H,2-3,6,14H2,1H3