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

Systemtic Name: N3-[(E)-(4-bromanyl-2,5-dimethoxy-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-bromo-2,5-dimethoxy-phenyl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(4-bromo-2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-bromo-2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(4-bromo-2,5-dimethoxy-benzylidene)amino]amine Formula: C12H15BrN6O2 MolecularWeight: 355.1905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C12H15BrN6O2/c1-7-16-18-12(19(7)14)17-15-6-8-4-11(21-3)9(13)5-10(8)20-2/h4-6H,14H2,1-3H3,(H,17,18)/b15-6+