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

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-octadecylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-methyl-5-octadecylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-(octadecylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-octadecylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-methyl-5-(stearylthio)-1,2,4-triazole Formula: C31H53N3S MolecularWeight: 499.83762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C31H53N3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-30-33-32-29(34(30)5)27-22-24-28(25-23-27)31(2,3)4/h22-25H,6-21,26H2,1-5H3