ethyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O5S/c1-2-27-20(26)24-9-7-23(8-10-24)19(25)12-30-18-6-4-15(21-22-18)14-3-5-16-17(11-14)29-13-28-16/h3-6,11H,2,7-10,12-13H2,1H3