2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(2-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(2-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]-5-(2-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-(2-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8-5-3-4-6-9(8)11-15-16-13(21-11)22-12-10(18(19)20)14-7-17(12)2/h3-7H,1-2H3