1-[4-(phenylcarbonyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(phenylcarbonyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzoylpiperazino)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H24N6O2S MolecularWeight: 484.57276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N6O2S/c33-23(30-14-16-31(17-15-30)25(34)20-8-3-1-4-9-20)19-35-26-29-28-24(21-10-7-13-27-18-21)32(26)22-11-5-2-6-12-22/h1-13,18H,14-17,19H2