2-[(3,5-dinitrophenyl)methylsulfanyl]-1-methyl-imidazole

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1-methyl-imidazole Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1-methyl-imidazole CAS Name: 2-[(3,5-dinitrophenyl)methylthio]-1-methylimidazole IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]-1-methylimidazole Traditional Name: 2-[(3,5-dinitrobenzyl)thio]-1-methyl-imidazole Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4S/c1-13-3-2-12-11(13)20-7-8-4-9(14(16)17)6-10(5-8)15(18)19/h2-6H,7H2,1H3