5-chloranyl-2-prop-2-enylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-prop-2-enylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(prop-2-enylthio)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-prop-2-enylsulfanyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide Formula: C15H11ClF3N3OS MolecularWeight: 373.78055

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H11ClF3N3OS/c1-2-6-24-14-20-8-11(16)12(22-14)13(23)21-10-5-3-4-9(7-10)15(17,18)19/h2-5,7-8H,1,6H2,(H,21,23)