1-methyl-4-nitro-5-(phenylmethylsulfanyl)imidazole

Systemtic Name: 1-methyl-4-nitro-5-(phenylmethylsulfanyl)imidazole Openeye Name: 5-benzylsulfanyl-1-methyl-4-nitro-imidazole CAS Name: 1-methyl-4-nitro-5-(phenylmethylthio)imidazole IUPAC Name: 5-benzylsulfanyl-1-methyl-4-nitroimidazole Traditional Name: 5-(benzylthio)-1-methyl-4-nitro-imidazole Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-13-8-12-10(14(15)16)11(13)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3