2-(2-chlorophenyl)sulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 2-(2-chlorophenyl)sulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 2-[(2-chlorophenyl)thio]-4-(1-pyrrolidinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(2-chlorophenyl)sulfanyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 2-[(2-chlorophenyl)thio]-4-pyrrolidino-N-[4-(trifluoromethyl)benzyl]pyrimidine-5-carboxamide Formula: C23H20ClF3N4OS MolecularWeight: 492.94431

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C2=NC(=NC=C2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)SC4=CC=CC=C4Cl

InChI

InChI=1S/C23H20ClF3N4OS/c24-18-5-1-2-6-19(18)33-22-29-14-17(20(30-22)31-11-3-4-12-31)21(32)28-13-15-7-9-16(10-8-15)23(25,26)27/h1-2,5-10,14H,3-4,11-13H2,(H,28,32)