N3-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(3-bromo-4-methoxy-benzylidene)amino]amine Formula: C10H11BrN6O MolecularWeight: 311.13794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC2=NN=CN2N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC2=NN=CN2N)Br

InChI

InChI=1S/C10H11BrN6O/c1-18-9-3-2-7(4-8(9)11)5-13-15-10-16-14-6-17(10)12/h2-6H,12H2,1H3,(H,15,16)/b13-5+