[[2-bromanyl-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C19H19BrF2N3O3PS MolecularWeight: 518.312027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCCCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCCCC3=CC(=C(C=C3)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C19H19BrF2N3O3PS/c20-16-12-13(9-10-15(16)19(21,22)29(26,27)28)6-4-5-11-30-18-23-17(24-25-18)14-7-2-1-3-8-14/h1-3,7-10,12H,4-6,11H2,(H,23,24,25)(H2,26,27,28)