2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-2-5-11-14-13(16-15-11)19-8-9-6-3-4-7-10(9)12(17)18/h3-4,6-7H,2,5,8H2,1H3,(H,17,18)(H,14,15,16)/p-1