3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-butyl-1H-1,2,4-triazole-5-thione Formula: C13H20BrN5S MolecularWeight: 358.3004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCN1C(=NNC1=S)CCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C13H20BrN5S/c1-4-5-7-18-11(15-16-13(18)20)6-8-19-10(3)12(14)9(2)17-19/h4-8H2,1-3H3,(H,16,20)