3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-2-17-12(10-11-6-4-3-5-7-11)15-16-14(17)20-9-8-13(18)19/h3-7H,2,8-10H2,1H3,(H,18,19)