5-[3-(2-methylpropyl)-5-nitro-2-propan-2-yl-imidazol-4-yl]sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[3-(2-methylpropyl)-5-nitro-2-propan-2-yl-imidazol-4-yl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3-isobutyl-2-isopropyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[[3-(2-methylpropyl)-5-nitro-2-propan-2-yl-4-imidazolyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-[3-(2-methylpropyl)-5-nitro-2-propan-2-ylimidazol-4-yl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(3-isobutyl-2-isopropyl-5-nitro-imidazol-4-yl)thio]-1H-1,2,4-triazole Formula: C12H18N6O2S MolecularWeight: 310.37532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(N=C1C(C)C)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

CC(C)CN1C(=C(N=C1C(C)C)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C12H18N6O2S/c1-7(2)5-17-9(8(3)4)15-10(18(19)20)11(17)21-12-13-6-14-16-12/h6-8H,5H2,1-4H3,(H,13,14,16)