(phenylmethyl) 2-[6-(propanoylamino)pyridazin-3-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-(propanoylamino)pyridazin-3-yl]sulfanylethanoate Openeye Name: benzyl 2-[6-(propanoylamino)pyridazin-3-yl]sulfanylacetate CAS Name: 2-[[6-(1-oxopropylamino)-3-pyridazinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(propanoylamino)pyridazin-3-yl]sulfanylacetate Traditional Name: 2-[(6-propionamidopyridazin-3-yl)thio]acetic acid benzyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(C=C1)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=NN=C(C=C1)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3S/c1-2-14(20)17-13-8-9-15(19-18-13)23-11-16(21)22-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,17,18,20)