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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-chloranyl-2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-chloro-2-(trifluoromethyl)phenyl]propionamide Formula: C15H11ClF3N5OS MolecularWeight: 401.79395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H11ClF3N5OS/c1-7(26-14-22-6-8(5-20)12(21)24-14)13(25)23-11-3-2-9(16)4-10(11)15(17,18)19/h2-4,6-7H,1H3,(H,23,25)(H2,21,22,24)