N3-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(3-bromo-4-methoxy-benzylidene)amino]amine Formula: C11H13BrN6O MolecularWeight: 325.16452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C11H13BrN6O/c1-7-15-17-11(18(7)13)16-14-6-8-3-4-10(19-2)9(12)5-8/h3-6H,13H2,1-2H3,(H,16,17)/b14-6+