4-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzene-1,2-diol

Systemtic Name: 4-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzene-1,2-diol Openeye Name: 4-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzene-1,2-diol CAS Name: 4-[[5-(3-thiophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzene-1,2-diol IUPAC Name: 4-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]benzene-1,2-diol Traditional Name: 4-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrocatechol Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CNC3=NC=C(C=C23)C4=CSC=C4)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CNC3=NC=C(C=C23)C4=CSC=C4)O)O

InChI

InChI=1S/C18H14N2O2S/c21-16-2-1-11(6-17(16)22)5-14-9-20-18-15(14)7-13(8-19-18)12-3-4-23-10-12/h1-4,6-10,21-22H,5H2,(H,19,20)