3-tert-butyl-5-octadecylsulfanyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole

Systemtic Name: 3-tert-butyl-5-octadecylsulfanyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Openeye Name: 3-tert-butyl-5-octadecylsulfanyl-4-(1,1,3,3-tetramethylbutyl)-1,2,4-triazole CAS Name: 3-tert-butyl-5-(octadecylthio)-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole IUPAC Name: 3-tert-butyl-5-octadecylsulfanyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Traditional Name: 3-tert-butyl-5-(stearylthio)-4-(1,1,3,3-tetramethylbutyl)-1,2,4-triazole Formula: C32H63N3S MolecularWeight: 521.92772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H63N3S/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-36-29-34-33-28(31(5,6)7)35(29)32(8,9)27-30(2,3)4/h10-27H2,1-9H3