2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C17H16F3N5O2S MolecularWeight: 411.40145

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NC(=N2)SCC(=O)NCCCN3C=CN=C3)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)C2=CC(=NC(=N2)SCC(=O)NCCCN3C=CN=C3)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O2S/c18-17(19,20)14-9-12(13-3-1-8-27-13)23-16(24-14)28-10-15(26)22-4-2-6-25-7-5-21-11-25/h1,3,5,7-9,11H,2,4,6,10H2,(H,22,26)