2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]acetic acid Formula: C15H11N3O4S 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/C15H11N3O4S/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/h1-8H,9H2,(H,19,20)