3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-ethyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-ethyl-4-(2-oxolanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-ethyl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C16H19ClFN3OS MolecularWeight: 355.857963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCO2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC1=NN=C(N1CC2CCCO2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H19ClFN3OS/c1-2-15-19-20-16(21(15)9-11-5-4-8-22-11)23-10-12-13(17)6-3-7-14(12)18/h3,6-7,11H,2,4-5,8-10H2,1H3