[(3S)-3-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3S)-3-[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-piperidin-1-yl-methanone Openeye Name: [(3S)-3-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)-1-piperidyl]-(1-piperidyl)methanone CAS Name: [(3S)-3-[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: [(3S)-3-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-piperidin-1-ylmethanone Traditional Name: [(3S)-3-[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]piperidino]-piperidino-methanone Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)C(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN(C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-2-27-20(23-24-21(27)29-17-18-10-5-3-6-11-18)19-12-9-15-26(16-19)22(28)25-13-7-4-8-14-25/h3,5-6,10-11,19H,2,4,7-9,12-17H2,1H3/t19-/m0/s1