N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H16N4O5S/c24-17(20-16-12-18(25)23(21-16)13-6-2-1-3-7-13)10-11-22-19(26)14-8-4-5-9-15(14)29(22,27)28/h1-9H,10-12H2,(H,20,21,24)