N-(3-oxidanylpropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-oxidanylpropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-hydroxypropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-hydroxypropyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-hydroxypropyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-hydroxypropyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C16H16F3N3O2S MolecularWeight: 371.37735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCCO)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCCCO)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/c17-16(18,19)13-9-12(11-5-2-1-3-6-11)21-15(22-13)25-10-14(24)20-7-4-8-23/h1-3,5-6,9,23H,4,7-8,10H2,(H,20,24)