1-(2-chloranyl-5-prop-1-ynyl-phenyl)-2-ethanoyl-4-methyl-1,2,4-triazolidin-3-one

Systemtic Name: 1-(2-chloranyl-5-prop-1-ynyl-phenyl)-2-ethanoyl-4-methyl-1,2,4-triazolidin-3-one Openeye Name: 2-acetyl-1-(2-chloro-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-3-one CAS Name: 2-acetyl-1-(2-chloro-5-prop-1-ynylphenyl)-4-methyl-1,2,4-triazolidin-3-one IUPAC Name: 2-acetyl-1-(2-chloro-5-prop-1-ynylphenyl)-4-methyl-1,2,4-triazolidin-3-one Traditional Name: 2-acetyl-1-(2-chloro-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-3-one Formula: C14H14ClN3O2 MolecularWeight: 291.73286

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=C(C=C1)Cl)N2CN(C(=O)N2C(=O)C)C

Isomeric SMILES

CC#CC1=CC(=C(C=C1)Cl)N2CN(C(=O)N2C(=O)C)C

InChI

InChI=1S/C14H14ClN3O2/c1-4-5-11-6-7-12(15)13(8-11)17-9-16(3)14(20)18(17)10(2)19/h6-8H,9H2,1-3H3