1-[4-[6-ethyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxyphenyl]ethanone

Systemtic Name: 1-[4-[6-ethyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]oxyphenyl]ethanone Openeye Name: 1-[4-(2-benzylsulfanyl-6-ethyl-pyrimidin-4-yl)oxyphenyl]ethanone CAS Name: 1-[4-[[6-ethyl-2-(phenylmethylthio)-4-pyrimidinyl]oxy]phenyl]ethanone IUPAC Name: 1-[4-(2-benzylsulfanyl-6-ethylpyrimidin-4-yl)oxyphenyl]ethanone Traditional Name: 1-[4-[2-(benzylthio)-6-ethyl-pyrimidin-4-yl]oxyphenyl]ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N2O2S/c1-3-18-13-20(25-19-11-9-17(10-12-19)15(2)24)23-21(22-18)26-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3