1-methyl-5-nitro-2-[(phenylmethylsulfanyl)methyl]imidazole

Systemtic Name: 1-methyl-5-nitro-2-[(phenylmethylsulfanyl)methyl]imidazole Openeye Name: 2-(benzylsulfanylmethyl)-1-methyl-5-nitro-imidazole CAS Name: 1-methyl-5-nitro-2-[(phenylmethylthio)methyl]imidazole IUPAC Name: 2-(benzylsulfanylmethyl)-1-methyl-5-nitroimidazole Traditional Name: 2-[(benzylthio)methyl]-1-methyl-5-nitro-imidazole Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O2S/c1-14-11(13-7-12(14)15(16)17)9-18-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3