5-chloranyl-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H20ClN5O2S/c1-14-19(20(23)28(26-14)16-5-3-2-4-6-16)21(29)24-15-7-8-17-18(13-15)31-22(25-17)27-9-11-30-12-10-27/h2-8,13H,9-12H2,1H3,(H,24,29)