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3-nonyl-5-octadecylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

3-nonyl-5-octadecylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name:3-nonyl-5-octadecylsulfanyl-4-(phenylmethyl)-1,2,4-triazole
Openeye Name:4-benzyl-3-nonyl-5-octadecylsulfanyl-1,2,4-triazole
CAS Name:3-nonyl-5-(octadecylthio)-4-(phenylmethyl)-1,2,4-triazole
IUPAC Name:4-benzyl-3-nonyl-5-octadecylsulfanyl-1,2,4-triazole
Traditional Name:4-benzyl-3-nonyl-5-(stearylthio)-1,2,4-triazole
Formula: C36H63N3S
MolecularWeight: 569.97052
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)CCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)CCCCCCCCC


InChI

InChI=1S/C36H63N3S/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-28-32-40-36-38-37-35(31-27-22-20-10-8-6-4-2)39(36)33-34-29-25-24-26-30-34/h24-26,29-30H,3-23,27-28,31-33H2,1-2H3


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