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

Systemtic Name: N-(3-nitro-5-phenoxy-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-nitro-5-phenoxy-phenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(3-nitro-5-phenoxyphenyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: N-(3-nitro-5-phenoxyphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: N-(3-nitro-5-phenoxy-phenyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C26H19F3N4O4S MolecularWeight: 540.51367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H19F3N4O4S/c1-16(38-25-31-22(17-8-4-2-5-9-17)15-23(32-25)26(27,28)29)24(34)30-18-12-19(33(35)36)14-21(13-18)37-20-10-6-3-7-11-20/h2-16H,1H3,(H,30,34)