3-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-imidazole-2-thione

Systemtic Name: 3-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-imidazole-2-thione Openeye Name: 3-[(4-hydroxy-3-nitro-phenyl)methyl]-1H-imidazole-2-thione CAS Name: 3-[(4-hydroxy-3-nitrophenyl)methyl]-1H-imidazole-2-thione IUPAC Name: 3-[(4-hydroxy-3-nitrophenyl)methyl]-1H-imidazole-2-thione Traditional Name: 1-(4-hydroxy-3-nitro-benzyl)-4-imidazoline-2-thione Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=CNC2=S)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CN2C=CNC2=S)[N+](=O)[O-])O

InChI

InChI=1S/C10H9N3O3S/c14-9-2-1-7(5-8(9)13(15)16)6-12-4-3-11-10(12)17/h1-5,14H,6H2,(H,11,17)