N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c1-22(2,3)18-13-19(26(24-18)15-9-5-4-6-10-15)23-20(27)14-25-21(28)16-11-7-8-12-17(16)31(25,29)30/h4-13H,14H2,1-3H3,(H,23,27)