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

Systemtic Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]pentan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-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-piperidinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(4-benzylpiperidino)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-21-27-28-26(30(21)24-12-6-3-7-13-24)32-19-9-8-14-25(31)29-17-15-23(16-18-29)20-22-10-4-2-5-11-22/h2-7,10-13,23H,8-9,14-20H2,1H3