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

Systemtic Name: 2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c21-16(22)14-9-5-4-8-13(14)11-23-17-18-15(19-20-17)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,22)(H,18,19,20)/p-1