1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenyl-ethanone

Systemtic Name: 1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenyl-ethanone Openeye Name: 1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenyl-ethanone CAS Name: 1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenylethanone IUPAC Name: 1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenylethanone Traditional Name: 1-(5-butyl-1H-1,2,4-triazol-3-yl)-2-phenyl-ethanone Formula: C14H17N3O MolecularWeight: 243.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NC(=NN1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-2-3-9-13-15-14(17-16-13)12(18)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,16,17)