3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C16H17BrN4O3S2 MolecularWeight: 457.36518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O3S2/c1-9-15(17)10(2)21(20-9)7-6-14(22)19-16-18-12-5-4-11(26(3,23)24)8-13(12)25-16/h4-5,8H,6-7H2,1-3H3,(H,18,19,22)