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3-(4-tert-butylphenyl)-5-octadecylsulfanyl-4-propyl-1,2,4-triazole

3-(4-tert-butylphenyl)-5-octadecylsulfanyl-4-propyl-1,2,4-triazole

Systemtic Name:3-(4-tert-butylphenyl)-5-octadecylsulfanyl-4-propyl-1,2,4-triazole
Openeye Name:3-(4-tert-butylphenyl)-5-octadecylsulfanyl-4-propyl-1,2,4-triazole
CAS Name:3-(4-tert-butylphenyl)-5-(octadecylthio)-4-propyl-1,2,4-triazole
IUPAC Name:3-(4-tert-butylphenyl)-5-octadecylsulfanyl-4-propyl-1,2,4-triazole
Traditional Name:3-(4-tert-butylphenyl)-4-propyl-5-(stearylthio)-1,2,4-triazole
Formula: C33H57N3S
MolecularWeight: 527.89078
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1CCC)C2=CC=C(C=C2)C(C)(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1CCC)C2=CC=C(C=C2)C(C)(C)C


InChI

InChI=1S/C33H57N3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-37-32-35-34-31(36(32)27-7-2)29-23-25-30(26-24-29)33(3,4)5/h23-26H,6-22,27-28H2,1-5H3


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