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

Systemtic Name: 2-tert-butyl-5-(2-chloranyl-6-methyl-phenyl)sulfanyl-1-(2,2-dimethylpropyl)-4-nitro-imidazole Openeye Name: 2-tert-butyl-5-(2-chloro-6-methyl-phenyl)sulfanyl-1-(2,2-dimethylpropyl)-4-nitro-imidazole CAS Name: 2-tert-butyl-5-[(2-chloro-6-methylphenyl)thio]-1-(2,2-dimethylpropyl)-4-nitroimidazole IUPAC Name: 2-tert-butyl-5-(2-chloro-6-methylphenyl)sulfanyl-1-(2,2-dimethylpropyl)-4-nitroimidazole Traditional Name: 2-tert-butyl-5-[(2-chloro-6-methyl-phenyl)thio]-1-neopentyl-4-nitro-imidazole Formula: C19H26ClN3O2S MolecularWeight: 395.94664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)SC2=C(N=C(N2CC(C)(C)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)SC2=C(N=C(N2CC(C)(C)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26ClN3O2S/c1-12-9-8-10-13(20)14(12)26-16-15(23(24)25)21-17(19(5,6)7)22(16)11-18(2,3)4/h8-10H,11H2,1-7H3