1-[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]butan-1-one

Systemtic Name: 1-[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C17H15ClN4O MolecularWeight: 326.7802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O/c1-2-3-15(23)22-17(13-8-10-19-11-9-13)20-16(21-22)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3