N-(3-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(3-nitrophenyl)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-nitrophenyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C14H11F3N4O3S MolecularWeight: 372.32235

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C14H11F3N4O3S/c15-14(16,17)11-4-6-18-13(20-11)25-7-5-12(22)19-9-2-1-3-10(8-9)21(23)24/h1-4,6,8H,5,7H2,(H,19,22)