3-heptyl-4-(4-methylphenyl)-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole

Systemtic Name: 3-heptyl-4-(4-methylphenyl)-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole Openeye Name: 3-heptyl-4-(p-tolyl)-5-(1,1,3,3-tetramethylbutyldisulfanyl)-1,2,4-triazole CAS Name: 3-heptyl-4-(4-methylphenyl)-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole IUPAC Name: 3-heptyl-4-(4-methylphenyl)-5-(2,4,4-trimethylpentan-2-yldisulfanyl)-1,2,4-triazole Traditional Name: 3-heptyl-4-(p-tolyl)-5-(1,1,3,3-tetramethylbutyldisulfanyl)-1,2,4-triazole Formula: C24H39N3S2 MolecularWeight: 433.71656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1C2=CC=C(C=C2)C)SSC(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCC1=NN=C(N1C2=CC=C(C=C2)C)SSC(C)(C)CC(C)(C)C

InChI

InChI=1S/C24H39N3S2/c1-8-9-10-11-12-13-21-25-26-22(27(21)20-16-14-19(2)15-17-20)28-29-24(6,7)18-23(3,4)5/h14-17H,8-13,18H2,1-7H3