5-[2,6-bis(chloranyl)pyridin-4-yl]-2-tert-butyl-4-prop-2-ynyl-1,2,4-triazolidin-3-one

Systemtic Name: 5-[2,6-bis(chloranyl)pyridin-4-yl]-2-tert-butyl-4-prop-2-ynyl-1,2,4-triazolidin-3-one Openeye Name: 2-tert-butyl-5-(2,6-dichloro-4-pyridyl)-4-prop-2-ynyl-1,2,4-triazolidin-3-one CAS Name: 2-tert-butyl-5-(2,6-dichloro-4-pyridinyl)-4-prop-2-ynyl-1,2,4-triazolidin-3-one IUPAC Name: 2-tert-butyl-5-(2,6-dichloropyridin-4-yl)-4-prop-2-ynyl-1,2,4-triazolidin-3-one Traditional Name: 2-tert-butyl-5-(2,6-dichloro-4-pyridyl)-4-propargyl-1,2,4-triazolidin-3-one Formula: C14H16Cl2N4O MolecularWeight: 327.20904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)N(C(N1)C2=CC(=NC(=C2)Cl)Cl)CC#C

Isomeric SMILES

CC(C)(C)N1C(=O)N(C(N1)C2=CC(=NC(=C2)Cl)Cl)CC#C

InChI

InChI=1S/C14H16Cl2N4O/c1-5-6-19-12(9-7-10(15)17-11(16)8-9)18-20(13(19)21)14(2,3)4/h1,7-8,12,18H,6H2,2-4H3