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

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

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H16N4O5S/c1-12(23-19(26)14-9-5-6-10-15(14)29(23,27)28)18(25)20-16-11-17(24)22(21-16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,21,25)