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

Systemtic Name: N3-[(E)-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(3-bromo-5-methoxy-4-propoxy-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(3-bromo-5-methoxy-4-propoxy-benzylidene)amino]amine Formula: C13H17BrN6O2 MolecularWeight: 369.21708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=NNC2=NN=CN2N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=N/NC2=NN=CN2N)OC

InChI

InChI=1S/C13H17BrN6O2/c1-3-4-22-12-10(14)5-9(6-11(12)21-2)7-16-18-13-19-17-8-20(13)15/h5-8H,3-4,15H2,1-2H3,(H,18,19)/b16-7+