N-(4-methylphenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(4-methylphenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[2-(4-nitroimidazol-1-yl)ethyl]-N-(p-tolyl)-1H-1,2,4-triazol-3-amine CAS Name: N-(4-methylphenyl)-5-[2-(4-nitro-1-imidazolyl)ethyl]-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-methylphenyl)-5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-[2-(4-nitroimidazol-1-yl)ethyl]-1H-1,2,4-triazol-3-yl]-(p-tolyl)amine Formula: C14H15N7O2 MolecularWeight: 313.3146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NNC(=N2)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NNC(=N2)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N7O2/c1-10-2-4-11(5-3-10)16-14-17-12(18-19-14)6-7-20-8-13(15-9-20)21(22)23/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,19)