2-[1-[[3,5-bis(fluoranyl)phenyl]methyl]imidazol-2-yl]sulfanylethanamine

Systemtic Name: 2-[1-[[3,5-bis(fluoranyl)phenyl]methyl]imidazol-2-yl]sulfanylethanamine Openeye Name: 2-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]sulfanylethanamine CAS Name: 2-[[1-[(3,5-difluorophenyl)methyl]-2-imidazolyl]thio]ethanamine IUPAC Name: 2-[1-[(3,5-difluorophenyl)methyl]imidazol-2-yl]sulfanylethanamine Traditional Name: 2-[[1-(3,5-difluorobenzyl)imidazol-2-yl]thio]ethylamine Formula: C12H13F2N3S MolecularWeight: 269.313526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)SCCN)CC2=CC(=CC(=C2)F)F

Isomeric SMILES

C1=CN(C(=N1)SCCN)CC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H13F2N3S/c13-10-5-9(6-11(14)7-10)8-17-3-2-16-12(17)18-4-1-15/h2-3,5-7H,1,4,8,15H2