4-[(3-fluorophenyl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(3-fluorophenyl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-fluorophenyl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-fluorophenyl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-fluorophenyl)methyl]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-fluorobenzyl)-3-propyl-1H-1,2,4-triazole-5-thione Formula: C12H14FN3S MolecularWeight: 251.323063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC2=CC(=CC=C2)F

Isomeric SMILES

CCCC1=NNC(=S)N1CC2=CC(=CC=C2)F

InChI

InChI=1S/C12H14FN3S/c1-2-4-11-14-15-12(17)16(11)8-9-5-3-6-10(13)7-9/h3,5-7H,2,4,8H2,1H3,(H,15,17)