ethyl 4-[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(4-pyridyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(6-pyridin-4-yl-3-pyridazinyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(4-pyridyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C18H21N5O3S/c1-2-26-18(25)23-11-9-22(10-12-23)17(24)13-27-16-4-3-15(20-21-16)14-5-7-19-8-6-14/h3-8H,2,9-13H2,1H3