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

Systemtic Name: 4-tert-butyl-6-(5-naphthalen-1-yl-4-sulfanyl-1,2,3-triazol-1-yl)benzene-1,3-diol Openeye Name: 4-tert-butyl-6-[5-(1-naphthyl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-tert-butyl-6-[4-mercapto-5-(1-naphthalenyl)-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-tert-butyl-6-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)benzene-1,3-diol Traditional Name: 4-tert-butyl-6-[4-mercapto-5-(1-naphthyl)triazol-1-yl]resorcinol Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1O)O)N2C(=C(N=N2)S)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1O)O)N2C(=C(N=N2)S)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-22(2,3)16-11-17(19(27)12-18(16)26)25-20(21(28)23-24-25)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,26-28H,1-3H3