2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-fluorophenyl)-5-nitro-benzimidazole

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-fluorophenyl)-5-nitro-benzimidazole Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-fluorophenyl)-5-nitro-benzimidazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1-(4-fluorophenyl)-5-nitrobenzimidazole IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1-(4-fluorophenyl)-5-nitrobenzimidazole Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1-(4-fluorophenyl)-5-nitro-benzimidazole Formula: C26H26FN3O2S MolecularWeight: 463.566943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C26H26FN3O2S/c1-16-12-18(26(3,4)5)13-17(2)22(16)15-33-25-28-23-14-21(30(31)32)10-11-24(23)29(25)20-8-6-19(27)7-9-20/h6-14H,15H2,1-5H3