N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-piperonyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C15H12F3N3O3S MolecularWeight: 371.33429

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H12F3N3O3S/c1-25-14-20-6-9(12(21-14)15(16,17)18)13(22)19-5-8-2-3-10-11(4-8)24-7-23-10/h2-4,6H,5,7H2,1H3,(H,19,22)