2,6-ditert-butyl-4-[2-(furan-2-ylmethylimino)-3-phenyl-1,3-thiazol-4-yl]phenol bromide

Systemtic Name: 2,6-ditert-butyl-4-[2-(furan-2-ylmethylimino)-3-phenyl-1,3-thiazol-4-yl]phenol bromide Openeye Name: 2,6-ditert-butyl-4-[2-(2-furylmethylimino)-3-phenyl-thiazol-4-yl]phenol bromide CAS Name: 2,6-ditert-butyl-4-[2-(2-furanylmethylimino)-3-phenyl-4-thiazolyl]phenol bromide IUPAC Name: 2,6-ditert-butyl-4-[2-(furan-2-ylmethylimino)-3-phenyl-1,3-thiazol-4-yl]phenol bromide Traditional Name: 2,6-ditert-butyl-4-[2-(2-furfurylimino)-3-phenyl-4-thiazolin-4-yl]phenol bromide Formula: C28H32BrN2O2S- MolecularWeight: 540.53488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NCC3=CC=CO3)N2C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NCC3=CC=CO3)N2C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H32N2O2S.BrH/c1-27(2,3)22-15-19(16-23(25(22)31)28(4,5)6)24-18-33-26(29-17-21-13-10-14-32-21)30(24)20-11-8-7-9-12-20;/h7-16,18,31H,17H2,1-6H3;1H/p-1