1-[(3S,4S)-2-methyl-4-oxidanyl-hepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione

Systemtic Name: 1-[(3S,4S)-2-methyl-4-oxidanyl-hepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione Openeye Name: 1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-1,2,4-triazolidine-3,5-dione CAS Name: 1-[(3S,4S)-4-hydroxy-2-methylhepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione IUPAC Name: 1-[(3S,4S)-4-hydroxy-2-methylhepta-1,6-dien-3-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione Traditional Name: 1-[(1S,2S)-2-hydroxy-1-isopropenyl-pent-4-enyl]-4-phenyl-urazole Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-4-8-13(20)14(11(2)3)19-16(22)18(15(21)17-19)12-9-6-5-7-10-12/h4-7,9-10,13-14,20H,1-2,8H2,3H3,(H,17,21)/t13-,14-/m0/s1