ethyl 2-(4-cyano-5-methylsulfanyl-3-thiophen-2-yl-pyrazol-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-cyano-5-methylsulfanyl-3-thiophen-2-yl-pyrazol-1-yl)ethanoate Openeye Name: ethyl 2-[4-cyano-5-methylsulfanyl-3-(2-thienyl)pyrazol-1-yl]acetate CAS Name: 2-[4-cyano-5-(methylthio)-3-thiophen-2-yl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-cyano-5-methylsulfanyl-3-thiophen-2-ylpyrazol-1-yl)acetate Traditional Name: 2-[4-cyano-5-(methylthio)-3-(2-thienyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C2=CC=CS2)C#N)SC

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C2=CC=CS2)C#N)SC

InChI

InChI=1S/C13H13N3O2S2/c1-3-18-11(17)8-16-13(19-2)9(7-14)12(15-16)10-5-4-6-20-10/h4-6H,3,8H2,1-2H3