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

Systemtic Name: 2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(5-chlorobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(5-chloro-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(5-chlorobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C23H22ClN5O2S MolecularWeight: 467.97108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C23H22ClN5O2S/c1-27-22(20-14-16-13-17(24)7-8-19(16)31-20)25-26-23(27)32-15-21(30)29-11-9-28(10-12-29)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3