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

Systemtic Name: N3-[(E)-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-allyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: [(E)-(4-allyloxy-3-bromo-5-methoxy-benzylidene)amino]-(4-amino-1,2,4-triazol-3-yl)amine Formula: C13H15BrN6O2 MolecularWeight: 367.2012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN6O2/c1-3-4-22-12-10(14)5-9(6-11(12)21-2)7-16-18-13-19-17-8-20(13)15/h3,5-8H,1,4,15H2,2H3,(H,18,19)/b16-7+