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

Systemtic Name: [(1S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]azanium Openeye Name: [(1S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]ammonium CAS Name: [(1S)-1-[6-[(3-fluorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]ammonium IUPAC Name: [(1S)-1-[6-[(3-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]azanium Traditional Name: [(1S)-1-[6-[(3-fluorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]ammonium Formula: C18H17FN5S2+ MolecularWeight: 386.489483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NN=C3N2N=C(S3)SCC4=CC(=CC=C4)F)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NN=C3N2N=C(S3)SCC4=CC(=CC=C4)F)[NH3+]

InChI

InChI=1S/C18H16FN5S2/c19-14-8-4-7-13(9-14)11-25-18-23-24-16(21-22-17(24)26-18)15(20)10-12-5-2-1-3-6-12/h1-9,15H,10-11,20H2/p+1/t15-/m0/s1