5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3,4-diamine Openeye Name: 5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3,4-diamine CAS Name: 5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3,4-diamine IUPAC Name: 5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3,4-diamine Traditional Name: [3-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C9H10ClN5O MolecularWeight: 239.6616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)N)Cl

InChI

InChI=1S/C9H10ClN5O/c10-6-1-3-7(4-2-6)16-5-8-13-14-9(11)15(8)12/h1-4H,5,12H2,(H2,11,14)