5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-N-ethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-ethyl-amine Formula: C13H16BrN3O2S2 MolecularWeight: 390.31904

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC(=C(C=C2OC)Br)OC

InChI

InChI=1S/C13H16BrN3O2S2/c1-4-15-12-16-17-13(21-12)20-7-8-5-11(19-3)9(14)6-10(8)18-2/h5-6H,4,7H2,1-3H3,(H,15,16)