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

Systemtic Name: N3-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C11H11BrN6O2 MolecularWeight: 339.14804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C11H11BrN6O2/c1-6-15-17-11(18(6)13)16-14-4-7-2-9-10(3-8(7)12)20-5-19-9/h2-4H,5,13H2,1H3,(H,16,17)/b14-4+