3-chloranyl-2-pentan-2-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-chloranyl-2-pentan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-chloro-2-(1-methylbutyl)-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-2-pentan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-chloro-2-pentan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-chloro-2-(1-methylbutyl)-1H-1,2,4-triazol-5-one Formula: C7H12ClN3O MolecularWeight: 189.64268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NC(=O)N1)Cl

Isomeric SMILES

CCCC(C)N1C(=NC(=O)N1)Cl

InChI

InChI=1S/C7H12ClN3O/c1-3-4-5(2)11-6(8)9-7(12)10-11/h5H,3-4H2,1-2H3,(H,10,12)