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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC2=CC=NC=C2)Br)C(F)(F)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1CSCC2=CC=NC=C2)Br)C(F)(F)P(=O)(O)O

InChI

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