5-(2-chloroethylsulfanyl)-1-methyl-4-nitro-imidazole

Systemtic Name: 5-(2-chloroethylsulfanyl)-1-methyl-4-nitro-imidazole Openeye Name: 5-(2-chloroethylsulfanyl)-1-methyl-4-nitro-imidazole CAS Name: 5-(2-chloroethylthio)-1-methyl-4-nitroimidazole IUPAC Name: 5-(2-chloroethylsulfanyl)-1-methyl-4-nitroimidazole Traditional Name: 5-(2-chloroethylthio)-1-methyl-4-nitro-imidazole Formula: C6H8ClN3O2S MolecularWeight: 221.66462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCCCl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCCCl)[N+](=O)[O-]

InChI

InChI=1S/C6H8ClN3O2S/c1-9-4-8-5(10(11)12)6(9)13-3-2-7/h4H,2-3H2,1H3