1-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(2-pyrimidylthio)ethanone Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H18N2OS/c1-16(2,3)13-7-5-12(6-8-13)14(19)11-20-15-17-9-4-10-18-15/h4-10H,11H2,1-3H3