5-cyclopropyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(3-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(3-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(3-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C12H12FN3S MolecularWeight: 249.307183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC(=CC=C3)F

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C12H12FN3S/c13-10-3-1-2-8(6-10)7-17-12-14-11(15-16-12)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16)