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

Systemtic Name: 4-[(3-bromanyl-4,5-diethoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3-bromo-4,5-diethoxy-phenyl)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-bromo-4,5-diethoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-bromo-4,5-diethoxyphenyl)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(3-bromo-4,5-diethoxy-benzyl)amino]-1H-1,2,4-triazole-5-thione Formula: C13H17BrN4O2S MolecularWeight: 373.26868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Br)OCC

InChI

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