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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C17H16F3N5OS2 MolecularWeight: 427.46705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N5OS2/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)