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

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

Systemtic Name:4-octadecyl-3-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole
Openeye Name:3-benzyl-5-benzylsulfanyl-4-octadecyl-1,2,4-triazole
CAS Name:4-octadecyl-3-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole
IUPAC Name:3-benzyl-5-benzylsulfanyl-4-octadecyl-1,2,4-triazole
Traditional Name:3-benzyl-5-(benzylthio)-4-stearyl-1,2,4-triazole
Formula: C34H51N3S
MolecularWeight: 533.85384
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2)CC3=CC=CC=C3


Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SCC2=CC=CC=C2)CC3=CC=CC=C3


InChI

InChI=1S/C34H51N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-37-33(29-31-24-19-17-20-25-31)35-36-34(37)38-30-32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3


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