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

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C15H20BrN3O2S2 MolecularWeight: 418.3722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C15H20BrN3O2S2/c1-4-5-6-17-14-18-19-15(23-14)22-9-10-7-12(20-2)13(21-3)8-11(10)16/h7-8H,4-6,9H2,1-3H3,(H,17,18)