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

Systemtic Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-29-19-11-7-6-10-18(19)21-23-22(25-24-21)30-16-20(28)27-14-12-26(13-15-27)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,24,25)