3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one Formula: C10H14N6O MolecularWeight: 234.25776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=NC=N1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=NC=N1)N2C=NC=N2

InChI

InChI=1S/C10H14N6O/c1-10(2,3)8(17)9(15-6-11-4-13-15)16-7-12-5-14-16/h4-7,9H,1-3H3