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

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O4S/c26-20(13-24-21(27)16-8-4-5-9-18(16)30(24,28)29)22-19-12-17(14-10-11-14)23-25(19)15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,22,26)