N-[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide CAS Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-4-tert-butyl-benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-20(2,3)14-6-4-13(5-7-14)18(25)22-19-24-23-17(27-19)12-26-16-10-8-15(21)9-11-16/h4-11H,12H2,1-3H3,(H,22,24,25)