ethyl 1-ethyl-5-isothiocyanato-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-ethyl-5-isothiocyanato-pyrazole-4-carboxylate Openeye Name: ethyl 1-ethyl-5-isothiocyanato-pyrazole-4-carboxylate CAS Name: 1-ethyl-5-isothiocyanato-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-5-isothiocyanatopyrazole-4-carboxylate Traditional Name: 1-ethyl-5-isothiocyanato-pyrazole-4-carboxylic acid ethyl ester Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)OCC)N=C=S

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)OCC)N=C=S

InChI

InChI=1S/C9H11N3O2S/c1-3-12-8(10-6-15)7(5-11-12)9(13)14-4-2/h5H,3-4H2,1-2H3