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

Systemtic Name: N3-[(Z)-(3-bromanyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(Z)-(3-bromo-5-ethoxy-4-propoxy-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(Z)-(3-bromo-5-ethoxy-4-propoxy-benzylidene)amino]amine Formula: C14H19BrN6O2 MolecularWeight: 383.24366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=N\NC2=NN=CN2N)OCC

InChI

InChI=1S/C14H19BrN6O2/c1-3-5-23-13-11(15)6-10(7-12(13)22-4-2)8-17-19-14-20-18-9-21(14)16/h6-9H,3-5,16H2,1-2H3,(H,19,20)/b17-8-