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

Systemtic Name: 5-(4-tert-butylphenyl)-3-dodecylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-tert-butylphenyl)-3-dodecylsulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-tert-butylphenyl)-3-(dodecylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-tert-butylphenyl)-3-dodecylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-tert-butylphenyl)-3-(laurylthio)-1H-1,2,4-triazole Formula: C24H39N3S MolecularWeight: 401.65156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H39N3S/c1-5-6-7-8-9-10-11-12-13-14-19-28-23-25-22(26-27-23)20-15-17-21(18-16-20)24(2,3)4/h15-18H,5-14,19H2,1-4H3,(H,25,26,27)