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

Systemtic Name: [6-(3-nitrophenyl)-4-oxidanyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-pyridin-3-yl-methanone Openeye Name: [4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(3-pyridyl)methanone CAS Name: [4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-(3-pyridinyl)methanone IUPAC Name: [4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-pyridin-3-ylmethanone Traditional Name: [4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(3-pyridyl)methanone Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H13F3N4O4S/c18-17(19,20)16(26)12(14(25)10-4-2-6-21-8-10)13(22-15(29)23-16)9-3-1-5-11(7-9)24(27)28/h1-8,12-13,26H,(H2,22,23,29)