3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-propyl-1H-1,2,4-triazole Formula: C12H13ClFN3S MolecularWeight: 285.768123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H13ClFN3S/c1-2-4-11-15-12(17-16-11)18-7-8-9(13)5-3-6-10(8)14/h3,5-6H,2,4,7H2,1H3,(H,15,16,17)