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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-2-30-25(23-12-7-4-8-13-23)27-28-26(30)32-19-9-14-24(31)29-17-15-22(16-18-29)20-21-10-5-3-6-11-21/h3-8,10-13,22H,2,9,14-20H2,1H3