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

Systemtic Name: 4-[5-(4-butyl-2-methyl-phenyl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol Openeye Name: 4-[5-(4-butyl-2-methyl-phenyl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-[5-(4-butyl-2-methylphenyl)-4-mercapto-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-[5-(4-butyl-2-methylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol Traditional Name: 4-[5-(4-butyl-2-methyl-phenyl)-4-mercapto-triazol-1-yl]resorcinol Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=C(N=NN2C3=C(C=C(C=C3)O)O)S)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=C(N=NN2C3=C(C=C(C=C3)O)O)S)C

InChI

InChI=1S/C19H21N3O2S/c1-3-4-5-13-6-8-15(12(2)10-13)18-19(25)20-21-22(18)16-9-7-14(23)11-17(16)24/h6-11,23-25H,3-5H2,1-2H3