1-[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[5-azanyl-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-amino-3-(4-methylphenyl)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-amino-3-(p-tolyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)N

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)N

InChI

InChI=1S/C13H16N4O/c1-3-4-11(18)17-13(14)15-12(16-17)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3,(H2,14,15,16)