4-[5-nitro-2-(3-oxidanylidenebutylsulfanyl)benzimidazol-1-yl]butan-2-one

Systemtic Name: 4-[5-nitro-2-(3-oxidanylidenebutylsulfanyl)benzimidazol-1-yl]butan-2-one Openeye Name: 4-[5-nitro-2-(3-oxobutylsulfanyl)benzimidazol-1-yl]butan-2-one CAS Name: 4-[5-nitro-2-(3-oxobutylthio)-1-benzimidazolyl]-2-butanone IUPAC Name: 4-[5-nitro-2-(3-oxobutylsulfanyl)benzimidazol-1-yl]butan-2-one Traditional Name: 4-[2-(3-ketobutylthio)-5-nitro-benzimidazol-1-yl]butan-2-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCCC(=O)C

Isomeric SMILES

CC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SCCC(=O)C

InChI

InChI=1S/C15H17N3O4S/c1-10(19)5-7-17-14-4-3-12(18(21)22)9-13(14)16-15(17)23-8-6-11(2)20/h3-4,9H,5-8H2,1-2H3