1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one CAS Name: 1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylthio)-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butan-1-one Formula: C12H12FN3OS MolecularWeight: 265.306583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=NC=NN2)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=NC=NN2)F

InChI

InChI=1S/C12H12FN3OS/c13-10-5-3-9(4-6-10)11(17)2-1-7-18-12-14-8-15-16-12/h3-6,8H,1-2,7H2,(H,14,15,16)