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

Systemtic Name: 3-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-bromo-4,5-diethoxy-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H17BrN4O2S MolecularWeight: 373.26868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NNC(=N2)N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NNC(=N2)N)Br)OCC

InChI

InChI=1S/C13H17BrN4O2S/c1-3-19-10-5-8(9(14)6-11(10)20-4-2)7-21-13-16-12(15)17-18-13/h5-6H,3-4,7H2,1-2H3,(H3,15,16,17,18)