2-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole CAS Name: 2-[(4-tert-butylphenyl)methylthio]-1-(2-methoxyphenyl)-5-nitrobenzimidazole IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole Traditional Name: 2-[(4-tert-butylbenzyl)thio]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3S/c1-25(2,3)18-11-9-17(10-12-18)16-32-24-26-20-15-19(28(29)30)13-14-21(20)27(24)22-7-5-6-8-23(22)31-4/h5-15H,16H2,1-4H3