2-[[5-chloranyl-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-chloranyl-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-chloro-6-(2-phenylethynyl)-1H-benzimidazol-2-yl]thio]acetic acid Formula: C17H11ClN2O2S MolecularWeight: 342.79944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2Cl)N=C(N3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2Cl)N=C(N3)SCC(=O)O

InChI

InChI=1S/C17H11ClN2O2S/c18-13-9-15-14(19-17(20-15)23-10-16(21)22)8-12(13)7-6-11-4-2-1-3-5-11/h1-5,8-9H,10H2,(H,19,20)(H,21,22)