2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N5O2S/c1-2-29-23(21-16-18-8-6-7-11-20(18)31-21)25-26-24(29)32-17-22(30)28-14-12-27(13-15-28)19-9-4-3-5-10-19/h3-11,16H,2,12-15,17H2,1H3