1-(4-fluorophenyl)-4-pyrimidin-2-ylsulfanyl-butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-pyrimidin-2-ylsulfanyl-butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-pyrimidin-2-ylsulfanyl-butan-1-one CAS Name: 1-(4-fluorophenyl)-4-(2-pyrimidinylthio)-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-pyrimidin-2-ylsulfanylbutan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(2-pyrimidylthio)butan-1-one Formula: C14H13FN2OS MolecularWeight: 276.329223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CN=C(N=C1)SCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H13FN2OS/c15-12-6-4-11(5-7-12)13(18)3-1-10-19-14-16-8-2-9-17-14/h2,4-9H,1,3,10H2