1-(3-tert-butyl-1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(3-tert-butyl-1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(3-tert-butyl-1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(3-tert-butyl-1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(3-tert-butyl-1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(3-tert-butyl-1,2,4-triazol-1-yl)propan-1-one Formula: C9H15N3O MolecularWeight: 181.2349

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C=NC(=N1)C(C)(C)C

Isomeric SMILES

CCC(=O)N1C=NC(=N1)C(C)(C)C

InChI

InChI=1S/C9H15N3O/c1-5-7(13)12-6-10-8(11-12)9(2,3)4/h6H,5H2,1-4H3