1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: 1-(3,4-dimethylphenyl)-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-2-(2-pyrimidylthio)propan-1-one Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC=CC=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC=CC=N2)C

InChI

InChI=1S/C15H16N2OS/c1-10-5-6-13(9-11(10)2)14(18)12(3)19-15-16-7-4-8-17-15/h4-9,12H,1-3H3