4-hexyl-6-(5-naphthalen-1-yl-4-sulfanyl-1,2,3-triazol-1-yl)benzene-1,3-diol

Systemtic Name: 4-hexyl-6-(5-naphthalen-1-yl-4-sulfanyl-1,2,3-triazol-1-yl)benzene-1,3-diol Openeye Name: 4-hexyl-6-[5-(1-naphthyl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-hexyl-6-[4-mercapto-5-(1-naphthalenyl)-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-hexyl-6-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)benzene-1,3-diol Traditional Name: 4-hexyl-6-[4-mercapto-5-(1-naphthyl)triazol-1-yl]resorcinol Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1O)O)N2C(=C(N=N2)S)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1O)O)N2C(=C(N=N2)S)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O2S/c1-2-3-4-5-10-17-14-20(22(29)15-21(17)28)27-23(24(30)25-26-27)19-13-8-11-16-9-6-7-12-18(16)19/h6-9,11-15,28-30H,2-5,10H2,1H3