1-deuterio-4-phenyl-2-[(3R,4S)-1,1,4-trideuterio-2-methyl-4-oxidanyl-pent-1-en-3-yl]-1,2,4-triazolidine-3,5-dione

Systemtic Name: 1-deuterio-4-phenyl-2-[(3R,4S)-1,1,4-trideuterio-2-methyl-4-oxidanyl-pent-1-en-3-yl]-1,2,4-triazolidine-3,5-dione Openeye Name: 1-deuterio-2-[(1R)-3,3-dideuterio-1-[(1S)-1-deuterio-1-hydroxy-ethyl]-2-methyl-allyl]-4-phenyl-1,2,4-triazolidine-3,5-dione CAS Name: 1-deuterio-4-phenyl-2-[(3R,4S)-1,1,4-trideuterio-4-hydroxy-2-methylpent-1-en-3-yl]-1,2,4-triazolidine-3,5-dione IUPAC Name: 1-deuterio-4-phenyl-2-[(3R,4S)-1,1,4-trideuterio-4-hydroxy-2-methylpent-1-en-3-yl]-1,2,4-triazolidine-3,5-dione Traditional Name: 1-deuterio-2-[(1R)-3,3-dideuterio-1-[(1S)-1-deuterio-1-hydroxy-ethyl]-2-methyl-allyl]-4-phenyl-urazole Formula: C14H17N3O3 MolecularWeight: 279.327727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=C)C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2)O

Isomeric SMILES

[2H]C(=C(C)[C@H]([C@]([2H])(C)O)N1C(=O)N(C(=O)N1[2H])C2=CC=CC=C2)[2H]

InChI

InChI=1S/C14H17N3O3/c1-9(2)12(10(3)18)17-14(20)16(13(19)15-17)11-7-5-4-6-8-11/h4-8,10,12,18H,1H2,2-3H3,(H,15,19)/t10-,12+/m0/s1/i1D2,10D/hD