(2S)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2S)-2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2S)-2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2S)-2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2S)-2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5OS/c27-31-23(18-21-14-9-13-19-10-5-6-15-22(19)21)28-29-26(31)33-24(20-11-3-1-4-12-20)25(32)30-16-7-2-8-17-30/h1,3-6,9-15,24H,2,7-8,16-18,27H2/t24-/m0/s1