N-(2-bromanyl-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C13H8BrF3N4O3S MolecularWeight: 437.19183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C13H8BrF3N4O3S/c14-8-5-7(21(23)24)1-2-9(8)19-11(22)6-25-12-18-4-3-10(20-12)13(15,16)17/h1-5H,6H2,(H,19,22)