N-(4-pyrrolidin-1-ylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(1-pyrrolidinyl)phenyl]-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C17H17F3N4OS MolecularWeight: 382.40329

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4OS/c18-17(19,20)14-7-8-21-16(23-14)26-11-15(25)22-12-3-5-13(6-4-12)24-9-1-2-10-24/h3-8H,1-2,9-11H2,(H,22,25)