N-(2-chloranyl-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C14H10ClF3N4O3S MolecularWeight: 406.76741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClF3N4O3S/c1-7(26-13-19-5-4-11(21-13)14(16,17)18)12(23)20-10-3-2-8(22(24)25)6-9(10)15/h2-7H,1H3,(H,20,23)