2-(imidazol-1-ylsulfanylmethyl)-1-methyl-5-nitro-imidazole

Systemtic Name: 2-(imidazol-1-ylsulfanylmethyl)-1-methyl-5-nitro-imidazole Openeye Name: 2-(imidazol-1-ylsulfanylmethyl)-1-methyl-5-nitro-imidazole CAS Name: 2-[(1-imidazolylthio)methyl]-1-methyl-5-nitroimidazole IUPAC Name: 2-(imidazol-1-ylsulfanylmethyl)-1-methyl-5-nitroimidazole Traditional Name: 2-[(imidazol-1-ylthio)methyl]-1-methyl-5-nitro-imidazole Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CSN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C8H9N5O2S/c1-11-7(10-4-8(11)13(14)15)5-16-12-3-2-9-6-12/h2-4,6H,5H2,1H3