1-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanone

Systemtic Name: 1-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanone CAS Name: 1-phenyl-2-(4-pyrimidinylmethylthio)ethanone IUPAC Name: 1-phenyl-2-(pyrimidin-4-ylmethylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(4-pyrimidylmethylthio)ethanone Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSCC2=NC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSCC2=NC=NC=C2

InChI

InChI=1S/C13H12N2OS/c16-13(11-4-2-1-3-5-11)9-17-8-12-6-7-14-10-15-12/h1-7,10H,8-9H2