4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C13H14FN3OS2 MolecularWeight: 311.398163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(S1)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)CCSC1=NN=C(S1)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FN3OS2/c1-9(18)6-7-19-13-17-16-12(20-13)15-8-10-2-4-11(14)5-3-10/h2-5H,6-8H2,1H3,(H,15,16)