[[2-bromanyl-4-(3-pyridin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-pyridin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[3-(2-pyridylsulfanyl)propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[3-(2-pyridinylthio)propyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-pyridin-2-ylsulfanylpropyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[3-(2-pyridylthio)propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H15BrF2NO3PS MolecularWeight: 438.224067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=NC(=C1)SCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C15H15BrF2NO3PS/c16-13-10-11(4-3-9-24-14-5-1-2-8-19-14)6-7-12(13)15(17,18)23(20,21)22/h1-2,5-8,10H,3-4,9H2,(H2,20,21,22)