N3-[(E)-(4-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(4-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-iodophenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(4-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-iodophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(4-iodobenzylidene)amino]amine Formula: C9H9IN6 MolecularWeight: 328.11243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC2=NN=CN2N)I

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC2=NN=CN2N)I

InChI

InChI=1S/C9H9IN6/c10-8-3-1-7(2-4-8)5-12-14-9-15-13-6-16(9)11/h1-6H,11H2,(H,14,15)/b12-5+