2-[[2-(dimethylamino)-4-nitro-phenyl]methylsulfinyl]-4,4-dimethyl-1H-imidazole-5-thione

Systemtic Name: 2-[[2-(dimethylamino)-4-nitro-phenyl]methylsulfinyl]-4,4-dimethyl-1H-imidazole-5-thione Openeye Name: 2-[[2-(dimethylamino)-4-nitro-phenyl]methylsulfinyl]-4,4-dimethyl-1H-imidazole-5-thione CAS Name: 2-[[2-(dimethylamino)-4-nitrophenyl]methylsulfinyl]-4,4-dimethyl-1H-imidazole-5-thione IUPAC Name: 2-[[2-(dimethylamino)-4-nitrophenyl]methylsulfinyl]-4,4-dimethyl-1H-imidazole-5-thione Traditional Name: 2-[2-(dimethylamino)-4-nitro-benzyl]sulfinyl-5,5-dimethyl-2-imidazoline-4-thione Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)NC(=N1)S(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])N(C)C)C

Isomeric SMILES

CC1(C(=S)NC(=N1)S(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])N(C)C)C

InChI

InChI=1S/C14H18N4O3S2/c1-14(2)12(22)15-13(16-14)23(21)8-9-5-6-10(18(19)20)7-11(9)17(3)4/h5-7H,8H2,1-4H3,(H,15,16,22)