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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=S)N1CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C1=NNC(=S)N1CC2=CC=C(C=C2)F

InChI

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