3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-yl-pyrazol-4-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-thienyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-yl-4-pyrazolyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-thiophen-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-thienyl)pyrazol-4-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C23H23FN2O3S MolecularWeight: 426.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=CC2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/C2C(CCOC2=O)O)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H23FN2O3S/c1-14(2)21-18(10-9-17-19(27)11-12-29-23(17)28)22(15-5-7-16(24)8-6-15)26(25-21)20-4-3-13-30-20/h3-10,13-14,17,19,27H,11-12H2,1-2H3/b10-9+