3-[(4-fluorophenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-fluorophenyl)methylthio]-4-methyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(4-fluorobenzyl)thio]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C14H17FN4S MolecularWeight: 292.374983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3CCCN3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3CCCN3

InChI

InChI=1S/C14H17FN4S/c1-19-13(12-3-2-8-16-12)17-18-14(19)20-9-10-4-6-11(15)7-5-10/h4-7,12,16H,2-3,8-9H2,1H3