4-[4-octadecyl-5-(octadecyldisulfanyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[4-octadecyl-5-(octadecyldisulfanyl)-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[4-octadecyl-5-(octadecyldisulfanyl)-1,2,4-triazol-3-yl]aniline CAS Name: 4-[4-octadecyl-5-(octadecyldisulfanyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[4-octadecyl-5-(octadecyldisulfanyl)-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[4-stearyl-5-(stearyldisulfanyl)-1,2,4-triazol-3-yl]phenyl]amine Formula: C44H80N4S2 MolecularWeight: 729.2628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSCCCCCCCCCCCCCCCCCC)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NN=C1SSCCCCCCCCCCCCCCCCCC)C2=CC=C(C=C2)N

InChI

InChI=1S/C44H80N4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-48-43(41-35-37-42(45)38-36-41)46-47-44(48)50-49-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34,39-40,45H2,1-2H3