4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol

Systemtic Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-sulfanyl-1,2,3-triazol-1-yl]benzene-1,3-diol Openeye Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-sulfanyl-triazol-1-yl]benzene-1,3-diol CAS Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-mercapto-1-triazolyl]benzene-1,3-diol IUPAC Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol Traditional Name: 4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-mercapto-triazol-1-yl]resorcinol Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

Isomeric SMILES

C1COC2=C(C=CC=C2O1)C3=C(N=NN3C4=C(C=C(C=C4)O)O)S

InChI

InChI=1S/C16H13N3O4S/c20-9-4-5-11(12(21)8-9)19-14(16(24)17-18-19)10-2-1-3-13-15(10)23-7-6-22-13/h1-5,8,20-21,24H,6-7H2