2-[(5,6-diphenyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(5,6-diphenyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5,6-diphenyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(5,6-diphenyl-1H-benzimidazol-2-yl)thio]propanoic acid IUPAC Name: 2-[(5,6-diphenyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5,6-diphenyl-1H-benzimidazol-2-yl)thio]propionic acid Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(N1)C=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(N1)C=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c1-14(21(25)26)27-22-23-19-12-17(15-8-4-2-5-9-15)18(13-20(19)24-22)16-10-6-3-7-11-16/h2-14H,1H3,(H,23,24)(H,25,26)