ethyl 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[4-(1,3-dithiolan-2-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C15H16N2O5S3/c1-2-21-14(18)12-9-16-17-13(12)25(19,20)22-11-5-3-10(4-6-11)15-23-7-8-24-15/h3-6,9,15H,2,7-8H2,1H3,(H,16,17)