1-(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-(5-azanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O/c1-2-6-10(17)16-12(13)14-11(15-16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15)