2-[2-chloranyl-4-fluoranyl-5-(pyrazolidin-1-ylsulfanylcarbonylamino)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-chloranyl-4-fluoranyl-5-(pyrazolidin-1-ylsulfanylcarbonylamino)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-chloro-4-fluoro-5-(pyrazolidin-1-ylsulfanylcarbonylamino)phenyl]sulfanylacetic acid CAS Name: 2-[[2-chloro-4-fluoro-5-[[oxo-(1-pyrazolidinylthio)methyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-chloro-4-fluoro-5-(pyrazolidin-1-ylsulfanylcarbonylamino)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-chloro-4-fluoro-5-[(pyrazolidin-1-ylthio)carbonylamino]phenyl]thio]acetic acid Formula: C12H13ClFN3O3S2 MolecularWeight: 365.831323

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Descriptors Computed from Structure

Canonical SMILES:

C1CNN(C1)SC(=O)NC2=CC(=C(C=C2F)Cl)SCC(=O)O

Isomeric SMILES

C1CNN(C1)SC(=O)NC2=CC(=C(C=C2F)Cl)SCC(=O)O

InChI

InChI=1S/C12H13ClFN3O3S2/c13-7-4-8(14)9(5-10(7)21-6-11(18)19)16-12(20)22-17-3-1-2-15-17/h4-5,15H,1-3,6H2,(H,16,20)(H,18,19)