2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C13H11ClF3N3OS MolecularWeight: 349.75915

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H11ClF3N3OS/c1-2-3-8-5-10(21)20-12(19-8)22-11-9(14)4-7(6-18-11)13(15,16)17/h4-6H,2-3H2,1H3,(H,19,20,21)