1-dodecan-2-yl-3-(4-methoxyphenyl)-5-(2-methylheptan-2-yldisulfanyl)-1,2,4-triazole

Systemtic Name: 1-dodecan-2-yl-3-(4-methoxyphenyl)-5-(2-methylheptan-2-yldisulfanyl)-1,2,4-triazole Openeye Name: 5-(1,1-dimethylhexyldisulfanyl)-3-(4-methoxyphenyl)-1-(1-methylundecyl)-1,2,4-triazole CAS Name: 1-dodecan-2-yl-3-(4-methoxyphenyl)-5-(2-methylheptan-2-yldisulfanyl)-1,2,4-triazole IUPAC Name: 1-dodecan-2-yl-3-(4-methoxyphenyl)-5-(2-methylheptan-2-yldisulfanyl)-1,2,4-triazole Traditional Name: 5-(1,1-dimethylhexyldisulfanyl)-3-(4-methoxyphenyl)-1-(1-methylundecyl)-1,2,4-triazole Formula: C29H49N3OS2 MolecularWeight: 519.84886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SSC(C)(C)CCCCC

Isomeric SMILES

CCCCCCCCCCC(C)N1C(=NC(=N1)C2=CC=C(C=C2)OC)SSC(C)(C)CCCCC

InChI

InChI=1S/C29H49N3OS2/c1-7-9-11-12-13-14-15-16-18-24(3)32-28(34-35-29(4,5)23-17-10-8-2)30-27(31-32)25-19-21-26(33-6)22-20-25/h19-22,24H,7-18,23H2,1-6H3