1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyrazin-2-one

Systemtic Name: 1-[3-methyl-4-(2-methyl-2-oxidanyl-propoxy)phenyl]-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyrazin-2-one Openeye Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyrazin-2-one CAS Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]-2-pyrazinone IUPAC Name: 1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpyrazin-2-one Traditional Name: 1-[4-(2-hydroxy-2-methyl-propoxy)-3-methyl-phenyl]-3-[[5-(trifluoromethyl)-2-pyridyl]thio]pyrazin-2-one Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SC3=NC=C(C=C3)C(F)(F)F)OCC(C)(C)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CN=C(C2=O)SC3=NC=C(C=C3)C(F)(F)F)OCC(C)(C)O

InChI

InChI=1S/C21H20F3N3O3S/c1-13-10-15(5-6-16(13)30-12-20(2,3)29)27-9-8-25-18(19(27)28)31-17-7-4-14(11-26-17)21(22,23)24/h4-11,29H,12H2,1-3H3