3-heptadecyl-4-(4-methylphenyl)-5-(octyldisulfanyl)-1,2,4-triazole

Systemtic Name: 3-heptadecyl-4-(4-methylphenyl)-5-(octyldisulfanyl)-1,2,4-triazole Openeye Name: 3-heptadecyl-5-(octyldisulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-heptadecyl-4-(4-methylphenyl)-5-(octyldisulfanyl)-1,2,4-triazole IUPAC Name: 3-heptadecyl-4-(4-methylphenyl)-5-(octyldisulfanyl)-1,2,4-triazole Traditional Name: 3-heptadecyl-5-(octyldisulfanyl)-4-(p-tolyl)-1,2,4-triazole Formula: C34H59N3S2 MolecularWeight: 573.98236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN=C(N1C2=CC=C(C=C2)C)SSCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN=C(N1C2=CC=C(C=C2)C)SSCCCCCCCC

InChI

InChI=1S/C34H59N3S2/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-33-35-36-34(37(33)32-28-26-31(3)27-29-32)39-38-30-24-22-11-9-7-5-2/h26-29H,4-25,30H2,1-3H3