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

Systemtic Name: ethyl 5-isothiocyanato-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-isothiocyanato-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-isothiocyanato-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-isothiocyanato-1-phenylpyrazole-4-carboxylate Traditional Name: 5-isothiocyanato-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N=C=S

InChI

InChI=1S/C13H11N3O2S/c1-2-18-13(17)11-8-15-16(12(11)14-9-19)10-6-4-3-5-7-10/h3-8H,2H2,1H3