2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-isopentylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(3-methylbutylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(isoamylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C10H13F3N2OS MolecularWeight: 266.28323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C=C(N1)C(F)(F)F

Isomeric SMILES

CC(C)CCSC1=NC(=O)C=C(N1)C(F)(F)F

InChI

InChI=1S/C10H13F3N2OS/c1-6(2)3-4-17-9-14-7(10(11,12)13)5-8(16)15-9/h5-6H,3-4H2,1-2H3,(H,14,15,16)