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

Systemtic Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-2-28-21(17-30-20-11-7-4-8-12-20)24-25-23(28)31-18-22(29)27-15-13-26(14-16-27)19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3