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

Systemtic Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,4-diol Openeye Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,4-diol CAS Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)thio]benzene-1,4-diol IUPAC Name: 2-hexadecyl-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,4-diol Traditional Name: 2-[(5-amyl-4-phenyl-1,2,4-triazol-3-yl)thio]-5-cetyl-hydroquinone Formula: C35H53N3O2S MolecularWeight: 579.87922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N3O2S/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