2-[5-nitro-2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-nitro-2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-5-nitro-benzimidazol-1-yl)acetic acid CAS Name: 2-[5-nitro-2-(phenylmethylthio)-1-benzimidazolyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-5-nitrobenzimidazol-1-yl)acetic acid Traditional Name: 2-[2-(benzylthio)-5-nitro-benzimidazol-1-yl]acetic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-15(21)9-18-14-7-6-12(19(22)23)8-13(14)17-16(18)24-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,21)