3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C16H18N4O3S2 MolecularWeight: 378.46912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C16H18N4O3S2/c1-10-8-11(2)20(19-10)7-6-15(21)18-16-17-13-5-4-12(25(3,22)23)9-14(13)24-16/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,21)