2-[(3-nitro-4-pentoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

Systemtic Name: 2-[(3-nitro-4-pentoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole Openeye Name: 2-[(3-nitro-4-pentoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole CAS Name: 2-[(3-nitro-4-pentoxyphenyl)methylthio]-4,5-dihydro-1H-imidazole IUPAC Name: 2-[(3-nitro-4-pentoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole Traditional Name: 2-[(4-amoxy-3-nitro-benzyl)thio]-2-imidazoline Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-9-21-14-6-5-12(10-13(14)18(19)20)11-22-15-16-7-8-17-15/h5-6,10H,2-4,7-9,11H2,1H3,(H,16,17)