5-[2,6-bis(chloranyl)phenyl]sulfanyl-2-tert-butyl-1-(2,2-dimethylpropyl)-4-nitro-imidazole

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]sulfanyl-2-tert-butyl-1-(2,2-dimethylpropyl)-4-nitro-imidazole Openeye Name: 2-tert-butyl-5-(2,6-dichlorophenyl)sulfanyl-1-(2,2-dimethylpropyl)-4-nitro-imidazole CAS Name: 2-tert-butyl-5-[(2,6-dichlorophenyl)thio]-1-(2,2-dimethylpropyl)-4-nitroimidazole IUPAC Name: 2-tert-butyl-5-(2,6-dichlorophenyl)sulfanyl-1-(2,2-dimethylpropyl)-4-nitroimidazole Traditional Name: 2-tert-butyl-5-[(2,6-dichlorophenyl)thio]-1-neopentyl-4-nitro-imidazole Formula: C18H23Cl2N3O2S MolecularWeight: 416.36512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(N=C1C(C)(C)C)[N+](=O)[O-])SC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)(C)CN1C(=C(N=C1C(C)(C)C)[N+](=O)[O-])SC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C18H23Cl2N3O2S/c1-17(2,3)10-22-15(26-13-11(19)8-7-9-12(13)20)14(23(24)25)21-16(22)18(4,5)6/h7-9H,10H2,1-6H3