1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-one

Systemtic Name: 1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-one Openeye Name: 1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-one CAS Name: 1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-propanone IUPAC Name: 1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-one Traditional Name: 1-(1-methyl-5-phenyl-1,2,4-triazol-3-yl)acetone Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(C(=N1)C2=CC=CC=C2)C

Isomeric SMILES

CC(=O)CC1=NN(C(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3O/c1-9(16)8-11-13-12(15(2)14-11)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3