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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitro-benzimidazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1-(2-methoxyphenyl)-5-nitrobenzimidazole IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1-(2-methoxyphenyl)-5-nitrobenzimidazole Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1-(2-methoxyphenyl)-5-nitro-benzimidazole Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C27H29N3O3S/c1-17-13-19(27(3,4)5)14-18(2)21(17)16-34-26-28-22-15-20(30(31)32)11-12-23(22)29(26)24-9-7-8-10-25(24)33-6/h7-15H,16H2,1-6H3