N3-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C10H9BrN6O2 MolecularWeight: 325.12146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NN=CN3N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC3=NN=CN3N)Br

InChI

InChI=1S/C10H9BrN6O2/c11-7-2-9-8(18-5-19-9)1-6(7)3-13-15-10-16-14-4-17(10)12/h1-4H,5,12H2,(H,15,16)/b13-3+