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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(S2)N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(S2)N)Br)OCC

InChI

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