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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-(4-acetylpiperazino)-5-[[4-phenyl-5-(p-tolyl)-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:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C26H31N5O2S/c1-20-11-13-22(14-12-20)25-27-28-26(31(25)23-8-4-3-5-9-23)34-19-7-6-10-24(33)30-17-15-29(16-18-30)21(2)32/h3-5,8-9,11-14H,6-7,10,15-19H2,1-2H3