3-[(4-phenylmethoxy-2H-indazol-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 3-[(4-phenylmethoxy-2H-indazol-3-yl)methylsulfanyl]benzoic acid Openeye Name: 3-[(4-benzyloxy-2H-indazol-3-yl)methylsulfanyl]benzoic acid CAS Name: 3-[(4-phenylmethoxy-2H-indazol-3-yl)methylthio]benzoic acid IUPAC Name: 3-[(4-phenylmethoxy-2H-indazol-3-yl)methylsulfanyl]benzoic acid Traditional Name: 3-[(4-benzoxy-2H-indazol-3-yl)methylthio]benzoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=NNC(=C32)CSC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=NNC(=C32)CSC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O3S/c25-22(26)16-8-4-9-17(12-16)28-14-19-21-18(23-24-19)10-5-11-20(21)27-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24)(H,25,26)