2-[6-fluoranyl-2-methyl-3-(4-pyrazol-1-ylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-2-methyl-3-(4-pyrazol-1-ylphenyl)sulfanyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-fluoro-2-methyl-3-(4-pyrazol-1-ylphenyl)sulfanyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-fluoro-2-methyl-3-[[4-(1-pyrazolyl)phenyl]thio]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-fluoro-2-methyl-3-(4-pyrazol-1-ylphenyl)sulfanylindolizin-1-yl]acetic acid Traditional Name: 2-[6-fluoro-2-methyl-3-[(4-pyrazol-1-ylphenyl)thio]indolizin-1-yl]acetic acid Formula: C20H16FN3O2S MolecularWeight: 381.423343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)F)SC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)F)SC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H16FN3O2S/c1-13-17(11-19(25)26)18-8-3-14(21)12-23(18)20(13)27-16-6-4-15(5-7-16)24-10-2-9-22-24/h2-10,12H,11H2,1H3,(H,25,26)