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

Systemtic Name: N3-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-5-ethyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-ethyl-1,2,4-triazol-3-yl)-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C12H13BrN6O2 MolecularWeight: 353.17462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCC1=NN=C(N1N)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C12H13BrN6O2/c1-2-11-16-18-12(19(11)14)17-15-5-7-3-9-10(4-8(7)13)21-6-20-9/h3-5H,2,6,14H2,1H3,(H,17,18)/b15-5+