diethyl 5-azanyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C)C(=O)OCC)N

InChI

InChI=1S/C20H23N5O4S2/c1-5-28-19(26)16-13(17(31-18(16)21)20(27)29-6-2)10-30-15-8-7-14(22-23-15)25-12(4)9-11(3)24-25/h7-9H,5-6,10,21H2,1-4H3