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

Systemtic Name: 4-azanyl-3-[(1-butyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[(1-butyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[(1-butyl-3,5-dimethyl-4-pyrazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[(1-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[(1-butyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C12H20N6S MolecularWeight: 280.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)CC2=NNC(=S)N2N)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)CC2=NNC(=S)N2N)C

InChI

InChI=1S/C12H20N6S/c1-4-5-6-17-9(3)10(8(2)16-17)7-11-14-15-12(19)18(11)13/h4-7,13H2,1-3H3,(H,15,19)