1-phenyl-4-pyrimidin-2-ylsulfanyl-butan-1-one

Systemtic Name: 1-phenyl-4-pyrimidin-2-ylsulfanyl-butan-1-one Openeye Name: 1-phenyl-4-pyrimidin-2-ylsulfanyl-butan-1-one CAS Name: 1-phenyl-4-(2-pyrimidinylthio)-1-butanone IUPAC Name: 1-phenyl-4-pyrimidin-2-ylsulfanylbutan-1-one Traditional Name: 1-phenyl-4-(2-pyrimidylthio)butan-1-one Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC=CC=N2

InChI

InChI=1S/C14H14N2OS/c17-13(12-6-2-1-3-7-12)8-4-11-18-14-15-9-5-10-16-14/h1-3,5-7,9-10H,4,8,11H2