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

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

Systemtic Name:5-(4-tert-butylphenyl)-3-octadecylsulfanyl-1H-1,2,4-triazole
Openeye Name:5-(4-tert-butylphenyl)-3-octadecylsulfanyl-1H-1,2,4-triazole
CAS Name:5-(4-tert-butylphenyl)-3-(octadecylthio)-1H-1,2,4-triazole
IUPAC Name:5-(4-tert-butylphenyl)-3-octadecylsulfanyl-1H-1,2,4-triazole
Traditional Name:5-(4-tert-butylphenyl)-3-(stearylthio)-1H-1,2,4-triazole
Formula: C30H51N3S
MolecularWeight: 485.81104
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C(C)(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C(C)(C)C


InChI

InChI=1S/C30H51N3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-29-31-28(32-33-29)26-21-23-27(24-22-26)30(2,3)4/h21-24H,5-20,25H2,1-4H3,(H,31,32,33)


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