5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(2-chlorophenyl)-1H-1,2,4-triazol-3-one Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H14ClN3O/c1-2-3-8-11-14-12(17)16(15-11)10-7-5-4-6-9(10)13/h4-7H,2-3,8H2,1H3,(H,14,15,17)