ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-phenylthiazol-2-yl)-5-(thiomorpholinomethyl)pyrazole-4-carboxylate CAS Name: 1-(4-phenyl-2-thiazolyl)-5-(thiomorpholin-4-ylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-phenyl-1,3-thiazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-(4-phenylthiazol-2-yl)-5-(thiomorpholinomethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CN4CCSCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)CN4CCSCC4

InChI

InChI=1S/C20H22N4O2S2/c1-2-26-19(25)16-12-21-24(18(16)13-23-8-10-27-11-9-23)20-22-17(14-28-20)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3