3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfonyl-methyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfonyl-methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfonyl-methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(1-methyl-5-nitro-2-imidazolyl)-sulfonylmethyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(1-methyl-5-nitroimidazol-2-yl)-sulfonylmethyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(1-methyl-5-nitro-imidazol-2-yl)-sulfonyl-methyl]-4-phenyl-1,2,4-triazole Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(=S(=O)=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(=S(=O)=O)C2=NN=CN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O4S/c1-17-10(19(20)21)7-14-12(17)11(24(22)23)13-16-15-8-18(13)9-5-3-2-4-6-9/h2-8H,1H3