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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=CN=C3C(=C2)C(=CN3)CC4=CC(=CC(=C4)O)O

Isomeric SMILES

C1=CSC=C1C2=CN=C3C(=C2)C(=CN3)CC4=CC(=CC(=C4)O)O

InChI

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