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

Systemtic Name: 2-[3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-[3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[3-nitro-5-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1,2,4-triazol-1-yl]acetamide Formula: C13H10N8O5S MolecularWeight: 390.3341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N2)SC3=NC(=NN3CC(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N2)SC3=NC(=NN3CC(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N8O5S/c14-10(22)6-19-13(17-11(18-19)21(25)26)27-12-15-5-9(16-12)7-1-3-8(4-2-7)20(23)24/h1-5H,6H2,(H2,14,22)(H,15,16)