N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(2-pyrimidylthio)propionamide Formula: C14H11F3N4O3S MolecularWeight: 372.32235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC=CC=N2

InChI

InChI=1S/C14H11F3N4O3S/c1-8(25-13-18-5-2-6-19-13)12(22)20-11-4-3-9(21(23)24)7-10(11)14(15,16)17/h2-8H,1H3,(H,20,22)