[4-oxidanyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-oxidanyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-pyridin-3-yl-methanone Openeye Name: [4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(3-pyridyl)methanone CAS Name: [4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-(3-pyridinyl)methanone IUPAC Name: [4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-pyridin-3-ylmethanone Traditional Name: [4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(3-pyridyl)methanone Formula: C17H14F3N3O2S MolecularWeight: 381.37217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H14F3N3O2S/c18-17(19,20)16(25)12(14(24)11-7-4-8-21-9-11)13(22-15(26)23-16)10-5-2-1-3-6-10/h1-9,12-13,25H,(H2,22,23,26)