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

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4,5-dimethyl-1,2,4-triazole Formula: C11H12FN3S MolecularWeight: 237.296483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC(=CC=C2)F

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC(=CC=C2)F

InChI

InChI=1S/C11H12FN3S/c1-8-13-14-11(15(8)2)16-7-9-4-3-5-10(12)6-9/h3-6H,7H2,1-2H3