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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC1=C(C=CC(=C1)O)O)SC2=NN=C(N2C3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(CC1=C(C=CC(=C1)O)O)SC2=NN=C(N2C3=CC=CC=C3)CCCCC

InChI

InChI=1S/C35H53N3O2S/c1-3-5-7-8-9-10-11-12-13-14-15-20-23-32(28-29-27-31(39)25-26-33(29)40)41-35-37-36-34(24-17-6-4-2)38(35)30-21-18-16-19-22-30/h16,18-19,21-22,25-27,32,39-40H,3-15,17,20,23-24,28H2,1-2H3