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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C11H11BrN4O2S MolecularWeight: 343.19964

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NNC(=N3)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NNC(=N3)N

InChI

InChI=1S/C11H11BrN4O2S/c12-7-4-9-8(17-1-2-18-9)3-6(7)5-19-11-14-10(13)15-16-11/h3-4H,1-2,5H2,(H3,13,14,15,16)