2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCCC3)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCCC3)N4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-18(25-13-7-3-8-14-25)21-23-24-22(27(21)19-11-5-2-6-12-19)29-17-20(28)26-15-9-4-10-16-26/h2,5-6,11-12,18H,3-4,7-10,13-17H2,1H3