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

Systemtic Name: [[2-bromanyl-4-(pyridin-3-ylsulfanylmethyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-pyridylsulfanylmethyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3-pyridinylthio)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(pyridin-3-ylsulfanylmethyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(3-pyridylthio)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C13H11BrF2NO3PS MolecularWeight: 410.170907

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC(=CN=C1)SCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C13H11BrF2NO3PS/c14-12-6-9(8-22-10-2-1-5-17-7-10)3-4-11(12)13(15,16)21(18,19)20/h1-7H,8H2,(H2,18,19,20)