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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-N-ethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromo-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-ethyl-amine Formula: C12H14BrN3OS2 MolecularWeight: 360.29306

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C12H14BrN3OS2/c1-3-14-11-15-16-12(19-11)18-7-8-4-5-10(17-2)9(13)6-8/h4-6H,3,7H2,1-2H3,(H,14,15)