ethyl 1-(1H-benzimidazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(thiomorpholinomethyl)pyrazole-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-yl)-5-(thiomorpholin-4-ylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-yl)-5-(thiomorpholin-4-ylmethyl)pyrazole-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-yl)-5-(thiomorpholinomethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)CN4CCSCC4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)CN4CCSCC4

InChI

InChI=1S/C18H21N5O2S/c1-2-25-17(24)13-11-19-23(16(13)12-22-7-9-26-10-8-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)