(phenylmethyl) 2-[(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate

Systemtic Name: (phenylmethyl) 2-[(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate Openeye Name: benzyl 2-[(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)amino]propanoate CAS Name: 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate Traditional Name: 2-[(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)amino]propionic acid benzyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC2=NNC(=S)NC2=O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC2=NNC(=S)NC2=O

InChI

InChI=1S/C13H14N4O3S/c1-8(14-10-11(18)15-13(21)17-16-10)12(19)20-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16)(H2,15,17,18,21)