1-(4-cyclohexylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-cyclohexylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-(2-pyrimidylthio)ethanone Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C18H20N2OS/c21-17(13-22-18-19-11-4-12-20-18)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6,13H2