[(1S,2S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]azanium Openeye Name: [(1S,2S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]ammonium CAS Name: [(1S,2S)-1-[6-[(3-fluorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl]ammonium IUPAC Name: [(1S,2S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl]azanium Traditional Name: [(1S,2S)-1-[6-[(3-fluorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]ammonium Formula: C15H19FN5S2+ MolecularWeight: 352.473263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NN=C2N1N=C(S2)SCC3=CC(=CC=C3)F)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C1=NN=C2N1N=C(S2)SCC3=CC(=CC=C3)F)[NH3+]

InChI

InChI=1S/C15H18FN5S2/c1-3-9(2)12(17)13-18-19-14-21(13)20-15(23-14)22-8-10-5-4-6-11(16)7-10/h4-7,9,12H,3,8,17H2,1-2H3/p+1/t9-,12-/m0/s1