1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-ol

Systemtic Name: 1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-ol Openeye Name: 1-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-ol CAS Name: 1-[[1-(2-hydroxyethyl)-5-nitro-2-benzimidazolyl]thio]-3,3-dimethyl-2-butanol IUPAC Name: 1-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-ol Traditional Name: 1-[[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]thio]-3,3-dimethyl-butan-2-ol Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C(CSC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H21N3O4S/c1-15(2,3)13(20)9-23-14-16-11-8-10(18(21)22)4-5-12(11)17(14)6-7-19/h4-5,8,13,19-20H,6-7,9H2,1-3H3