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

Systemtic Name: 1-(3,5-dipyridin-4-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3,5-bis(4-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-(3,5-dipyridin-4-yl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-(3,5-dipyridin-4-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[3,5-bis(4-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C16H15N5O MolecularWeight: 293.3232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CC=NC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CC=NC=C2)C3=CC=NC=C3

InChI

InChI=1S/C16H15N5O/c1-2-3-14(22)21-16(13-6-10-18-11-7-13)19-15(20-21)12-4-8-17-9-5-12/h4-11H,2-3H2,1H3