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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl]-1H-imidazole-2-thione Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methyl]-1H-imidazole-2-thione CAS Name: 3-[(4-methoxy-3-nitrophenyl)methyl]-1H-imidazole-2-thione IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methyl]-1H-imidazole-2-thione Traditional Name: 1-(4-methoxy-3-nitro-benzyl)-4-imidazoline-2-thione Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=CNC2=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=CNC2=S)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c1-17-10-3-2-8(6-9(10)14(15)16)7-13-5-4-12-11(13)18/h2-6H,7H2,1H3,(H,12,18)