3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H18N4O3S2/c1-12-18(13(2)24(23-12)14-7-5-4-6-8-14)19(25)22-20-21-16-10-9-15(29(3,26)27)11-17(16)28-20/h4-11H,1-3H3,(H,21,22,25)