5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(1-methyl-2-imidazolyl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(1-methylimidazol-2-yl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-17-7-6-14-13(17)22-8-11-15-12(16-21-11)9-2-4-10(5-3-9)18(19)20/h2-7H,8H2,1H3