3-(dodecyldisulfanyl)-5-heptadecyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(dodecyldisulfanyl)-5-heptadecyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-(dodecyldisulfanyl)-5-heptadecyl-4-(4-isopropylphenyl)-1,2,4-triazole CAS Name: 3-(dodecyldisulfanyl)-5-heptadecyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-(dodecyldisulfanyl)-5-heptadecyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-heptadecyl-5-(lauryldisulfanyl)-4-p-cumenyl-1,2,4-triazole Formula: C40H71N3S2 MolecularWeight: 658.14184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H71N3S2/c1-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-39-41-42-40(43(39)38-33-31-37(32-34-38)36(3)4)45-44-35-29-27-25-23-16-14-12-10-8-6-2/h31-34,36H,5-30,35H2,1-4H3