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

Systemtic Name: (phenylmethyl) 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-21-17(15-10-6-3-7-11-15)19-20-18(21)24-13-16(22)23-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3