N-(2-methylsulfanylphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide Openeye Name: N-(2-methylsulfanylphenyl)-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butanamide CAS Name: N-[2-(methylthio)phenyl]-4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide Traditional Name: N-[2-(methylthio)phenyl]-4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-butyramide Formula: C20H18F3N3O3S3 MolecularWeight: 501.56543

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C20H18F3N3O3S3/c1-30-15-7-3-2-6-13(15)24-18(27)9-5-11-32(28,29)19-25-14(16-8-4-10-31-16)12-17(26-19)20(21,22)23/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,24,27)