3-[[3-bromanyl-4-[diethoxyphosphoryl-bis(fluoranyl)methyl]phenyl]methylsulfanyl]quinoline

Systemtic Name: 3-[[3-bromanyl-4-[diethoxyphosphoryl-bis(fluoranyl)methyl]phenyl]methylsulfanyl]quinoline Openeye Name: 3-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methylsulfanyl]quinoline CAS Name: 3-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methylthio]quinoline IUPAC Name: 3-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methylsulfanyl]quinoline Traditional Name: 3-[[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]benzyl]thio]quinoline Formula: C21H21BrF2NO3PS MolecularWeight: 516.335907

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=C(C=C(C=C1)CSC2=CC3=CC=CC=C3N=C2)Br)(F)F)OCC

Isomeric SMILES

CCOP(=O)(C(C1=C(C=C(C=C1)CSC2=CC3=CC=CC=C3N=C2)Br)(F)F)OCC

InChI

InChI=1S/C21H21BrF2NO3PS/c1-3-27-29(26,28-4-2)21(23,24)18-10-9-15(11-19(18)22)14-30-17-12-16-7-5-6-8-20(16)25-13-17/h5-13H,3-4,14H2,1-2H3