4-pentyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-pentyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-pentyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-pentyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-pentyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-amyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C12H15N4S- MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1[S-])C2=CC=NC=C2

Isomeric SMILES

CCCCCN1C(=NN=C1[S-])C2=CC=NC=C2

InChI

InChI=1S/C12H16N4S/c1-2-3-4-9-16-11(14-15-12(16)17)10-5-7-13-8-6-10/h5-8H,2-4,9H2,1H3,(H,15,17)/p-1