N-[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[(4-bromanylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)COC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C20H22BrN3O2S/c21-15-1-3-16(4-2-15)26-11-17-23-24-19(27-17)22-18(25)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,22,24,25)