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

Systemtic Name: 2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]acetic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C11H11N3O2S/c15-10(16)7-17-11-12-9(13-14-11)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)(H,12,13,14)