2-[2-fluoranyl-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]phenyl]thio]acetic acid Formula: C20H15FN2O3S MolecularWeight: 382.408103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)C3=CC(=C(C=C3)SCC(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)C3=CC(=C(C=C3)SCC(=O)O)F

InChI

InChI=1S/C20H15FN2O3S/c21-17-10-15(7-9-19(17)27-13-20(25)26)18(24)8-6-14-11-22-23(12-14)16-4-2-1-3-5-16/h1-12H,13H2,(H,25,26)/b8-6+