1-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[5-chloranyl-2-oxidanyl-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[5-chloro-2-hydroxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethanone IUPAC Name: 1-[5-chloro-2-hydroxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[5-chloro-2-hydroxy-3-[(2-pyrimidylthio)methyl]phenyl]ethanone Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)CSC2=NC=CC=N2)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)CSC2=NC=CC=N2)Cl

InChI

InChI=1S/C13H11ClN2O2S/c1-8(17)11-6-10(14)5-9(12(11)18)7-19-13-15-3-2-4-16-13/h2-6,18H,7H2,1H3