2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one Openeye Name: 2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one CAS Name: 2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one Traditional Name: 2-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CC(C)C(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C12H13N3O/c1-9(2)12(16)10-3-5-11(6-4-10)15-8-13-7-14-15/h3-9H,1-2H3