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

Systemtic Name: ethyl 4-[2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-(3,4-dimethylphenyl)-3-pyridazinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-4-28-21(27)25-11-9-24(10-12-25)20(26)14-29-19-8-7-18(22-23-19)17-6-5-15(2)16(3)13-17/h5-8,13H,4,9-12,14H2,1-3H3