5-propyl-4-(2-pyridin-2-ylethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-(2-pyridin-2-ylethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-[2-(2-pyridyl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-[2-(2-pyridinyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-(2-pyridin-2-ylethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-[2-(2-pyridyl)ethyl]-1,2,4-triazole-3-thiolate Formula: C12H15N4S- MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCC2=CC=CC=N2)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CCC2=CC=CC=N2)[S-]

InChI

InChI=1S/C12H16N4S/c1-2-5-11-14-15-12(17)16(11)9-7-10-6-3-4-8-13-10/h3-4,6,8H,2,5,7,9H2,1H3,(H,15,17)/p-1