4-pentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-pentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-pentyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-pentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-pentyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-amyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NNC1=S)C2=CC=NC=C2

Isomeric SMILES

CCCCCN1C(=NNC1=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)