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

Systemtic Name: (phenylmethyl) 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)OCC2=CC=CC=C2

InChI

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