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

Systemtic Name: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1,2,4-triazole Formula: C12H9N7O4S MolecularWeight: 347.30936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])SC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O4S/c1-17-12(15-10(16-17)19(22)23)24-11-13-6-9(14-11)7-2-4-8(5-3-7)18(20)21/h2-6H,1H3,(H,13,14)