N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-[3-nitro-5-(2-pyridinylthio)phenyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-[3-nitro-5-(2-pyridylthio)phenyl]-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C25H18F3N5O3S2 MolecularWeight: 557.56733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)SC2=CC=CC=N2)[N+](=O)[O-])SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)SC2=CC=CC=N2)[N+](=O)[O-])SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H18F3N5O3S2/c1-15(37-24-31-20(16-7-3-2-4-8-16)14-21(32-24)25(26,27)28)23(34)30-17-11-18(33(35)36)13-19(12-17)38-22-9-5-6-10-29-22/h2-15H,1H3,(H,30,34)