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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SCC(=O)OCC2=CC=CC=C2

InChI

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