5-(2-fluorophenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(2-fluorophenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(2-fluorophenyl)-3-isobutylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(2-fluorophenyl)-3-(2-methylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(2-fluorophenyl)-3-(2-methylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(2-fluorophenyl)-3-(isobutylthio)-1H-1,2,4-triazole Formula: C12H14FN3S MolecularWeight: 251.323063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NNC(=N1)C2=CC=CC=C2F

Isomeric SMILES

CC(C)CSC1=NNC(=N1)C2=CC=CC=C2F

InChI

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