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

Systemtic Name: (phenylmethyl) 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: benzyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propionic acid benzyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)SC2=NNC(=N2)N

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)SC2=NNC(=N2)N

InChI

InChI=1S/C12H14N4O2S/c1-8(19-12-14-11(13)15-16-12)10(17)18-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,13,14,15,16)