N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C17H16ClF3N4OS MolecularWeight: 416.84835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4OS/c18-12-4-3-11(17(19,20)21)7-13(12)24-15(26)9-27-16-8-14(22-10-23-16)25-5-1-2-6-25/h3-4,7-8,10H,1-2,5-6,9H2,(H,24,26)