5-chloranyl-4-fluoranyl-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-3-one

Systemtic Name: 5-chloranyl-4-fluoranyl-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-3-one Openeye Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-3-one CAS Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-3-one IUPAC Name: 5-chloro-4-fluoro-2-methyl-5-(2-prop-2-ynoxyphenyl)-1,2,4-triazolidin-3-one Traditional Name: 5-chloro-4-fluoro-2-methyl-5-(2-propargyloxyphenyl)-1,2,4-triazolidin-3-one Formula: C12H11ClFN3O2 MolecularWeight: 283.686043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(C(N1)(C2=CC=CC=C2OCC#C)Cl)F

Isomeric SMILES

CN1C(=O)N(C(N1)(C2=CC=CC=C2OCC#C)Cl)F

InChI

InChI=1S/C12H11ClFN3O2/c1-3-8-19-10-7-5-4-6-9(10)12(13)15-16(2)11(18)17(12)14/h1,4-7,15H,8H2,2H3