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

Systemtic Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-(4-nitrophenyl)-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-5-(4-nitrophenyl)-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-(4-nitrophenyl)-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5-(4-nitrophenyl)-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(1,3-benzothiazol-2-ylhydrazono)-5-(4-nitrophenyl)-2-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)N2C(=O)C(=NNC3=NC4=CC=CC=C4S3)C(=N2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=NC4=CC=CC=C4S3)/C(=N2)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(14-10-12-16(13-11-14)28(30)31)26-27(21)15-6-2-1-3-7-15/h1-13H,(H,23,25)/b24-20+