3-cyclohexylsulfanyl-5-tridecyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole

Systemtic Name: 3-cyclohexylsulfanyl-5-tridecyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Openeye Name: 3-cyclohexylsulfanyl-4-(1,1,3,3-tetramethylbutyl)-5-tridecyl-1,2,4-triazole CAS Name: 3-(cyclohexylthio)-5-tridecyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole IUPAC Name: 3-cyclohexylsulfanyl-5-tridecyl-4-(2,4,4-trimethylpentan-2-yl)-1,2,4-triazole Traditional Name: 3-(cyclohexylthio)-4-(1,1,3,3-tetramethylbutyl)-5-tridecyl-1,2,4-triazole Formula: C29H55N3S MolecularWeight: 477.8321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(N1C(C)(C)CC(C)(C)C)SC2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(N1C(C)(C)CC(C)(C)C)SC2CCCCC2

InChI

InChI=1S/C29H55N3S/c1-7-8-9-10-11-12-13-14-15-16-20-23-26-30-31-27(33-25-21-18-17-19-22-25)32(26)29(5,6)24-28(2,3)4/h25H,7-24H2,1-6H3