2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-sulfanyl-phenol

Systemtic Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-sulfanyl-phenol Openeye Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-sulfanyl-phenol CAS Name: 2-hexadecyl-4-mercapto-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)thio]phenol IUPAC Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-sulfanylphenol Traditional Name: 5-[(5-amyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-cetyl-4-mercapto-phenol Formula: C35H53N3OS2 MolecularWeight: 595.94482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)SC2=NN=C(N2C3=CC=CC=C3)CCCCC)S

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1O)SC2=NN=C(N2C3=CC=CC=C3)CCCCC)S

InChI

InChI=1S/C35H53N3OS2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-29-27-32(40)33(28-31(29)39)41-35-37-36-34(26-19-6-4-2)38(35)30-24-21-18-22-25-30/h18,21-22,24-25,27-28,39-40H,3-17,19-20,23,26H2,1-2H3