4-[5,6-bis(fluoranyl)-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5,6-bis(fluoranyl)-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5,6-difluoro-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5,6-difluoro-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5,6-difluoro-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5,6-difluoro-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C22H18F2N2O2S MolecularWeight: 412.452326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=CC(=C(C=C4N=C3SCCCC(=O)O)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C4=CC(=C(C=C4N=C3SCCCC(=O)O)F)F

InChI

InChI=1S/C22H18F2N2O2S/c23-17-11-19-20(12-18(17)24)26(22(25-19)29-10-4-9-21(27)28)13-15-7-3-6-14-5-1-2-8-16(14)15/h1-3,5-8,11-12H,4,9-10,13H2,(H,27,28)