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

Systemtic Name: phenyl 3-fluoranyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoate Openeye Name: phenyl 3-fluoro-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfanyl]benzoate CAS Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzoic acid phenyl ester IUPAC Name: phenyl 3-fluoro-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoate Traditional Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]thio]benzoic acid phenyl ester Formula: C27H18FN3O2S MolecularWeight: 467.514123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C(=CC=C2)F)SC3=CC4=C(C=C3)C(=NN4)C=CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C(=CC=C2)F)SC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5

InChI

InChI=1S/C27H18FN3O2S/c28-23-11-6-10-22(27(32)33-19-8-2-1-3-9-19)26(23)34-20-13-14-21-24(30-31-25(21)17-20)15-12-18-7-4-5-16-29-18/h1-17H,(H,30,31)/b15-12+