2-methyl-1-(1-phenyl-1,2,3-triazol-4-yl)butan-1-one

Systemtic Name: 2-methyl-1-(1-phenyl-1,2,3-triazol-4-yl)butan-1-one Openeye Name: 2-methyl-1-(1-phenyltriazol-4-yl)butan-1-one CAS Name: 2-methyl-1-(1-phenyl-4-triazolyl)-1-butanone IUPAC Name: 2-methyl-1-(1-phenyltriazol-4-yl)butan-1-one Traditional Name: 2-methyl-1-(1-phenyltriazol-4-yl)butan-1-one Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CN(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)C1=CN(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O/c1-3-10(2)13(17)12-9-16(15-14-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3