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

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-15-10(7-9-5-3-2-4-6-9)13-14-12(15)18-8-11(16)17/h2-6H,7-8H2,1H3,(H,16,17)