4-[(5-bromanyl-2-ethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(5-bromanyl-2-ethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(5-bromo-2-ethoxy-phenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(5-bromo-2-ethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(5-bromo-2-ethoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(5-bromo-2-ethoxy-benzyl)amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C13H17BrN4OS MolecularWeight: 357.26928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C13H17BrN4OS/c1-3-12-16-17-13(20)18(12)15-8-9-7-10(14)5-6-11(9)19-4-2/h5-7,15H,3-4,8H2,1-2H3,(H,17,20)