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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O/c1-3-12(16)10-5-4-9(2)6-11(10)15-8-13-7-14-15/h4-8H,3H2,1-2H3