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

Systemtic Name: 1-(4-fluorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C13H14FN3OS MolecularWeight: 279.333163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN1C=NN=C1SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FN3OS/c1-17-9-15-16-13(17)19-8-2-3-12(18)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3