5-(4-pentylphenyl)-1H-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-pentylphenyl)-1H-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-pentylphenyl)-1H-1,2,4-triazole-3-thiolate CAS Name: 5-(4-pentylphenyl)-1H-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-pentylphenyl)-1H-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-amylphenyl)-1H-1,2,4-triazole-3-thiolate Formula: C13H16N3S- MolecularWeight: 246.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)[S-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)[S-]

InChI

InChI=1S/C13H17N3S/c1-2-3-4-5-10-6-8-11(9-7-10)12-14-13(17)16-15-12/h6-9H,2-5H2,1H3,(H2,14,15,16,17)/p-1