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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O/c1-3-4-5-13-15-14(17-16-13)12-8-6-11(7-9-12)10(2)18/h6-9H,3-5H2,1-2H3,(H,15,16,17)