2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C14H10F3N5OS MolecularWeight: 353.32231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C(F)(F)F

InChI

InChI=1S/C14H10F3N5OS/c15-14(16,17)9-2-1-3-10(4-9)21-11(23)7-24-13-20-6-8(5-18)12(19)22-13/h1-4,6H,7H2,(H,21,23)(H2,19,20,22)