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

Systemtic Name: [[2-bromanyl-4-(pyridin-2-ylmethylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(2-pyridylmethylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(2-pyridinylmethylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(pyridin-2-ylmethylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(2-pyridylmethylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C14H13BrF2NO3PS MolecularWeight: 424.197487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=NC(=C1)CSCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C14H13BrF2NO3PS/c15-13-7-10(8-23-9-11-3-1-2-6-18-11)4-5-12(13)14(16,17)22(19,20)21/h1-7H,8-9H2,(H2,19,20,21)