1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]-1,2,4-triazole

Systemtic Name: 1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]-1,2,4-triazole Openeye Name: 1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]-1,2,4-triazole CAS Name: 1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitro-1-imidazolyl)methyl]phenyl]-1,2,4-triazole IUPAC Name: 1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitroimidazol-1-yl)methyl]phenyl]-1,2,4-triazole Traditional Name: 1-ethyl-5-methyl-3-[4-[(2-methyl-4-nitro-imidazol-1-yl)methyl]phenyl]-1,2,4-triazole Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)C2=CC=C(C=C2)CN3C=C(N=C3C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=N1)C2=CC=C(C=C2)CN3C=C(N=C3C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O2/c1-4-21-12(3)18-16(19-21)14-7-5-13(6-8-14)9-20-10-15(22(23)24)17-11(20)2/h5-8,10H,4,9H2,1-3H3