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

Systemtic Name: 2-(2-methylheptan-2-yl)-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,4-diol Openeye Name: 2-(1,1-dimethylhexyl)-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzene-1,4-diol CAS Name: 2-(2-methylheptan-2-yl)-5-[(5-pentyl-4-phenyl-1,2,4-triazol-3-yl)thio]benzene-1,4-diol IUPAC Name: 2-(2-methylheptan-2-yl)-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-(1,1-dimethylhexyl)hydroquinone Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C(=C3)O)C(C)(C)CCCCC)O

Isomeric SMILES

CCCCCC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C(=C3)O)C(C)(C)CCCCC)O

InChI

InChI=1S/C27H37N3O2S/c1-5-7-10-16-25-28-29-26(30(25)20-14-11-9-12-15-20)33-24-19-22(31)21(18-23(24)32)27(3,4)17-13-8-6-2/h9,11-12,14-15,18-19,31-32H,5-8,10,13,16-17H2,1-4H3