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

Systemtic Name: [6-(3-nitrophenyl)-4-oxidanyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [4-hydroxy-6-(3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14F3N3O4S/c19-18(20,21)17(26)13(15(25)10-5-2-1-3-6-10)14(22-16(29)23-17)11-7-4-8-12(9-11)24(27)28/h1-9,13-14,26H,(H2,22,23,29)