5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one

Systemtic Name: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one Openeye Name: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one CAS Name: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one IUPAC Name: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one Traditional Name: 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidin-3-one Formula: C13H18ClN3O MolecularWeight: 267.75452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NC(=O)N(N1)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCCCC1(NC(=O)N(N1)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C13H18ClN3O/c1-3-4-9-13(2)15-12(18)17(16-13)11-7-5-10(14)6-8-11/h5-8,16H,3-4,9H2,1-2H3,(H,15,18)