3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-16-11(9-10-5-3-2-4-6-10)14-15-13(16)19-8-7-12(17)18/h2-6H,7-9H2,1H3,(H,17,18)/p-1