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

Systemtic Name: 4-heptyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-heptyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-heptyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-heptyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-heptyl-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H20N4S MolecularWeight: 276.4004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NNC1=S)C2=CC=NC=C2

Isomeric SMILES

CCCCCCCN1C(=NNC1=S)C2=CC=NC=C2

InChI

InChI=1S/C14H20N4S/c1-2-3-4-5-6-11-18-13(16-17-14(18)19)12-7-9-15-10-8-12/h7-10H,2-6,11H2,1H3,(H,17,19)