3-[(3-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-isopropyl-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4-isopropyl-1,2,4-triazole Formula: C12H14FN3S MolecularWeight: 251.323063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=CC(=CC=C2)F

InChI

InChI=1S/C12H14FN3S/c1-9(2)16-8-14-15-12(16)17-7-10-4-3-5-11(13)6-10/h3-6,8-9H,7H2,1-2H3