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

Systemtic Name: 1-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-20(2,3)18(24)12-28-19-21-14-11-13(23(25)26)9-10-15(14)22(19)16-7-5-6-8-17(16)27-4/h5-11H,12H2,1-4H3