5-chloranyl-2-methyl-N-(3-phenoxypropyl)-1,2,4-triazol-3-amine

Systemtic Name: 5-chloranyl-2-methyl-N-(3-phenoxypropyl)-1,2,4-triazol-3-amine Openeye Name: 5-chloro-2-methyl-N-(3-phenoxypropyl)-1,2,4-triazol-3-amine CAS Name: 5-chloro-2-methyl-N-(3-phenoxypropyl)-1,2,4-triazol-3-amine IUPAC Name: 5-chloro-2-methyl-N-(3-phenoxypropyl)-1,2,4-triazol-3-amine Traditional Name: (5-chloro-2-methyl-1,2,4-triazol-3-yl)-(3-phenoxypropyl)amine Formula: C12H15ClN4O MolecularWeight: 266.7267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)Cl)NCCCOC2=CC=CC=C2

Isomeric SMILES

CN1C(=NC(=N1)Cl)NCCCOC2=CC=CC=C2

InChI

InChI=1S/C12H15ClN4O/c1-17-12(15-11(13)16-17)14-8-5-9-18-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,14,15,16)