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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-3-yl]methyl]-5-oxidanyl-indole-3-carbonitrile Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-3-yl]methyl]-5-hydroxy-indole-3-carbonitrile CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-3-benzofuranyl]methyl]-5-hydroxy-3-indolecarbonitrile IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-3-yl]methyl]-5-hydroxyindole-3-carbonitrile Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-3-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=C(C3=CC=CC=C3O2)CN4C=C(C5=C4C=CC(=C5)O)C#N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=C(C3=CC=CC=C3O2)CN4C=C(C5=C4C=CC(=C5)O)C#N

InChI

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