1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-oxidanyl-indole-3-carbonitrile

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-oxidanyl-indole-3-carbonitrile Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-hydroxy-indole-3-carbonitrile CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-5-hydroxy-3-indolecarbonitrile IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-hydroxyindole-3-carbonitrile Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-hydroxy-indole-3-carbonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)O)C#N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)O)C#N

InChI

InChI=1S/C25H21N3O2S/c1-25(2,3)23-14-31-24(27-23)22-9-16-8-15(4-7-21(16)30-22)12-28-13-17(11-26)19-10-18(29)5-6-20(19)28/h4-10,13-14,29H,12H2,1-3H3