1-[2-(2-chloranyl-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone

Systemtic Name: 1-[2-(2-chloranyl-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone Openeye Name: 1-[2-(2-chloro-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone CAS Name: 1-[2-(2-chloro-5-prop-1-ynylphenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone IUPAC Name: 1-[2-(2-chloro-5-prop-1-ynylphenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone Traditional Name: 1-[2-(2-chloro-5-prop-1-ynyl-phenyl)-4-methyl-1,2,4-triazolidin-1-yl]ethanone Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=C(C=C1)Cl)N2CN(CN2C(=O)C)C

Isomeric SMILES

CC#CC1=CC(=C(C=C1)Cl)N2CN(CN2C(=O)C)C

InChI

InChI=1S/C14H16ClN3O/c1-4-5-12-6-7-13(15)14(8-12)18-10-16(3)9-17(18)11(2)19/h6-8H,9-10H2,1-3H3