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

Systemtic Name: N-(4-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(4-nitrophenyl)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(4-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=C1NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCSC2=NC=CC(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

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