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

Systemtic Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-(iodanylmethyl)indole-3-carbonitrile Openeye Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-(iodomethyl)indole-3-carbonitrile CAS Name: 1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-5-(iodomethyl)-3-indolecarbonitrile IUPAC Name: 1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-5-(iodomethyl)indole-3-carbonitrile Traditional Name: 1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-5-(iodomethyl)indole-3-carbonitrile Formula: C26H22IN3OS MolecularWeight: 551.44185

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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)CI)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H22IN3OS/c1-26(2,3)24-15-32-25(29-24)23-10-18-8-17(5-7-22(18)31-23)13-30-14-19(12-28)20-9-16(11-27)4-6-21(20)30/h4-10,14-15H,11,13H2,1-3H3