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

Systemtic Name: 3-fluoranyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoic acid Openeye Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfanyl]benzoic acid CAS Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzoic acid IUPAC Name: 3-fluoro-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoic acid Traditional Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]thio]benzoic acid Formula: C21H14FN3O2S MolecularWeight: 391.418163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=CC2=NNC3=C2C=CC(=C3)SC4=C(C=CC=C4F)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)/C=C/C2=NNC3=C2C=CC(=C3)SC4=C(C=CC=C4F)C(=O)O

InChI

InChI=1S/C21H14FN3O2S/c22-17-6-3-5-16(21(26)27)20(17)28-14-8-9-15-18(24-25-19(15)12-14)10-7-13-4-1-2-11-23-13/h1-12H,(H,24,25)(H,26,27)/b10-7+