2-tert-butyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-tert-butyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-tert-butyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-tert-butyl-6-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-tert-butyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-tert-butyl-6-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrimidin-4-one Formula: C13H16F3N5OS MolecularWeight: 347.35925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)C=C(N1)CSC2=NN=C(N2C)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(=O)C=C(N1)CSC2=NN=C(N2C)C(F)(F)F

InChI

InChI=1S/C13H16F3N5OS/c1-12(2,3)9-17-7(5-8(22)18-9)6-23-11-20-19-10(21(11)4)13(14,15)16/h5H,6H2,1-4H3,(H,17,18,22)