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

Systemtic Name: 5-propyl-4-(pyridin-4-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-(4-pyridylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-(pyridin-4-ylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-(pyridin-4-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-(4-pyridylmethyl)-1,2,4-triazole-3-thiolate Formula: C11H13N4S- MolecularWeight: 233.31272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=NC=C2)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=NC=C2)[S-]

InChI

InChI=1S/C11H14N4S/c1-2-3-10-13-14-11(16)15(10)8-9-4-6-12-7-5-9/h4-7H,2-3,8H2,1H3,(H,14,16)/p-1