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

Systemtic Name: 2-methyl-5-nitro-4-(phenylmethylsulfanyl)-1H-imidazole Openeye Name: 4-benzylsulfanyl-2-methyl-5-nitro-1H-imidazole CAS Name: 2-methyl-5-nitro-4-(phenylmethylthio)-1H-imidazole IUPAC Name: 4-benzylsulfanyl-2-methyl-5-nitro-1H-imidazole Traditional Name: 4-(benzylthio)-2-methyl-5-nitro-1H-imidazole Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

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