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

Systemtic Name: 3-[[(4-fluorophenyl)amino]methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-fluoroanilino)methyl]-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-fluoroanilino)methyl]-4-(2-oxolanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-fluoroanilino)methyl]-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-fluoroanilino)methyl]-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione Formula: C14H17FN4OS MolecularWeight: 308.374383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)CNC3=CC=C(C=C3)F

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4OS/c15-10-3-5-11(6-4-10)16-8-13-17-18-14(21)19(13)9-12-2-1-7-20-12/h3-6,12,16H,1-2,7-9H2,(H,18,21)