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

Systemtic Name: [(4R,5S,6S)-4-oxidanyl-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(4R,5S,6S)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(4R,5S,6S)-4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(4R,5S,6S)-4-hydroxy-6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(4R,5S,6S)-4-hydroxy-6-phenyl-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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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=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H]([C@](NC(=S)N2)(C(F)(F)F)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15F3N2O2S/c19-18(20,21)17(25)13(15(24)12-9-5-2-6-10-12)14(22-16(26)23-17)11-7-3-1-4-8-11/h1-10,13-14,25H,(H2,22,23,26)/t13-,14-,17-/m1/s1