3-fluoranyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-benzoic acid

Systemtic Name: 3-fluoranyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-benzoic acid Openeye Name: 3-fluoro-2-[1-methyl-3-[(E)-2-(2-pyridyl)vinyl]indazol-6-yl]sulfanyl-benzoic acid CAS Name: 3-fluoro-2-[[1-methyl-3-[(E)-2-(2-pyridinyl)ethenyl]-6-indazolyl]thio]benzoic acid IUPAC Name: 3-fluoro-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzoic acid Traditional Name: 3-fluoro-2-[[1-methyl-3-[(E)-2-(2-pyridyl)vinyl]indazol-6-yl]thio]benzoic acid Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SC3=C(C=CC=C3F)C(=O)O)C(=N1)C=CC4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C=CC(=C2)SC3=C(C=CC=C3F)C(=O)O)C(=N1)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C22H16FN3O2S/c1-26-20-13-15(29-21-17(22(27)28)6-4-7-18(21)23)9-10-16(20)19(25-26)11-8-14-5-2-3-12-24-14/h2-13H,1H3,(H,27,28)/b11-8+