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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5O2S/c1-12(22)20-7-9-21(10-8-20)14(23)11-24-16-17-15(18-19-16)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,17,18,19)