4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C12H12FN3OS MolecularWeight: 265.306583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NNC(=N1)C2=CC=CC=C2F

Isomeric SMILES

CC(=O)CCSC1=NNC(=N1)C2=CC=CC=C2F

InChI

InChI=1S/C12H12FN3OS/c1-8(17)6-7-18-12-14-11(15-16-12)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,15,16)