ethyl 5-isocyanatosulfonyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-isocyanatosulfonyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-isocyanatosulfonyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-isocyanatosulfonyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-isocyanatosulfonyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isocyanatosulfonyl-1-(2-pyridyl)pyrazole-4-carboxylic acid ethyl ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)S(=O)(=O)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)S(=O)(=O)N=C=O

InChI

InChI=1S/C12H10N4O5S/c1-2-21-12(18)9-7-14-16(10-5-3-4-6-13-10)11(9)22(19,20)15-8-17/h3-7H,2H2,1H3