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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethyl-butanamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-ethyl-butyramide Formula: C15H18BrN3OS2 MolecularWeight: 400.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCC(CC)C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrN3OS2/c1-3-11(4-2)13(20)17-14-18-19-15(22-14)21-9-10-5-7-12(16)8-6-10/h5-8,11H,3-4,9H2,1-2H3,(H,17,18,20)