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

Systemtic Name: ethyl 4-[2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-4-30-21(27)25-11-9-24(10-12-25)20(26)14-31-19-8-6-16(22-23-19)15-5-7-17(28-2)18(13-15)29-3/h5-8,13H,4,9-12,14H2,1-3H3