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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H21N5O2S/c28-20(27-12-10-26(11-13-27)17-7-2-1-3-8-17)15-30-22-23-21(24-25-22)19-14-16-6-4-5-9-18(16)29-19/h1-9,14H,10-13,15H2,(H,23,24,25)