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3-ethyl-4-octadecyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name:	3-ethyl-4-octadecyl-5-(phenylmethylsulfanyl)-1,2,4-triazole
Openeye Name:	3-benzylsulfanyl-5-ethyl-4-octadecyl-1,2,4-triazole
CAS Name:	3-ethyl-4-octadecyl-5-(phenylmethylthio)-1,2,4-triazole
IUPAC Name:	3-benzylsulfanyl-5-ethyl-4-octadecyl-1,2,4-triazole
Traditional Name:	3-(benzylthio)-5-ethyl-4-stearyl-1,2,4-triazole
Formula:	C₂₉H₄₉N₃S
MolecularWeight:	471.78446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2)CC

InChI

InChI=1S/C29H49N3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-28(4-2)30-31-29(32)33-26-27-23-20-19-21-24-27/h19-21,23-24H,3-18,22,25-26H2,1-2H3

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