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

Systemtic Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-benzylpiperazino)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C25H31N5OS MolecularWeight: 449.61154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5OS/c1-21-26-27-25(30(21)23-12-6-3-7-13-23)32-19-9-8-14-24(31)29-17-15-28(16-18-29)20-22-10-4-2-5-11-22/h2-7,10-13H,8-9,14-20H2,1H3