1-(4-ethanoylpiperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-acetylpiperazino)-5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2S/c1-21(32)29-15-17-30(18-16-29)25(33)14-8-9-19-34-26-28-27-24(20-22-10-4-2-5-11-22)31(26)23-12-6-3-7-13-23/h2-7,10-13H,8-9,14-20H2,1H3