5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]amine Formula: C10H11ClN4O MolecularWeight: 238.67354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)N)Cl

InChI

InChI=1S/C10H11ClN4O/c1-6-4-7(2-3-8(6)11)16-5-9-13-10(12)15-14-9/h2-4H,5H2,1H3,(H3,12,13,14,15)