N-(cyanomethyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfanyl-pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thio]valeramide Formula: C20H29BN2O3S MolecularWeight: 388.33186

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C20H29BN2O3S/c1-14(2)13-17(18(24)23-12-11-22)27-16-9-7-15(8-10-16)21-25-19(3,4)20(5,6)26-21/h7-10,14,17H,12-13H2,1-6H3,(H,23,24)