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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C20H22BrN3OS2 MolecularWeight: 464.44218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C20H22BrN3OS2/c21-16-3-1-12(2-4-16)11-26-19-24-23-18(27-19)22-17(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-11H2,(H,22,23,25)