4-(1,3-benzothiazol-2-ylhydrazinylidene)-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: 4-(1,3-benzothiazol-2-ylhydrazono)-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: 4-(1,3-benzothiazol-2-ylhydrazinylidene)-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: 4-(1,3-benzothiazol-2-ylhydrazono)-2-(4-nitrophenyl)-5-phenyl-2-pyrazolin-3-one Formula: C22H14N6O3S MolecularWeight: 442.44996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N6O3S/c29-21-20(24-25-22-23-17-8-4-5-9-18(17)32-22)19(14-6-2-1-3-7-14)26-27(21)15-10-12-16(13-11-15)28(30)31/h1-13H,(H,23,25)