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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-(4-ethylpiperazino)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C26H33N5OS MolecularWeight: 463.63812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H33N5OS/c1-3-29-16-18-30(19-17-29)24(32)11-7-8-20-33-26-28-27-25(22-14-12-21(2)13-15-22)31(26)23-9-5-4-6-10-23/h4-6,9-10,12-15H,3,7-8,11,16-20H2,1-2H3