2-(3-octadecylsulfanyl-1,2,4-triazol-4-yl)piperidine

Systemtic Name: 2-(3-octadecylsulfanyl-1,2,4-triazol-4-yl)piperidine Openeye Name: 2-(3-octadecylsulfanyl-1,2,4-triazol-4-yl)piperidine CAS Name: 2-[3-(octadecylthio)-1,2,4-triazol-4-yl]piperidine IUPAC Name: 2-(3-octadecylsulfanyl-1,2,4-triazol-4-yl)piperidine Traditional Name: 2-[3-(stearylthio)-1,2,4-triazol-4-yl]piperidine Formula: C25H48N4S MolecularWeight: 436.74042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=CN1C2CCCCN2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=CN1C2CCCCN2

InChI

InChI=1S/C25H48N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25-28-27-23-29(25)24-20-17-18-21-26-24/h23-24,26H,2-22H2,1H3