2-[5-[oxidanidyl(oxidanyl)amino]-1-phenyl-benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[5-[oxidanidyl(oxidanyl)amino]-1-phenyl-benzimidazol-2-yl]sulfanylethanoate Openeye Name: 2-[5-[hydroxy(oxido)amino]-1-phenyl-benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[5-[hydroxy(oxido)amino]-1-phenyl-2-benzimidazolyl]thio]acetate IUPAC Name: 2-[5-[hydroxy(oxido)amino]-1-phenylbenzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[5-[hydroxy(oxido)amino]-1-phenyl-benzimidazol-2-yl]thio]acetate Formula: C15H11N3O4S-2 MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(O)[O-])N=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(O)[O-])N=C2SCC(=O)[O-]

InChI

InChI=1S/C15H12N3O4S/c19-14(20)9-23-15-16-12-8-11(18(21)22)6-7-13(12)17(15)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,19,20)/q-1/p-1