(4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(2-thienylmethylamino)methylene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[(2-thenylamino)methylene]-2-pyrazolin-3-one Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/NCC3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4OS2/c27-21-17(14-23-13-16-9-6-12-28-16)20(15-7-2-1-3-8-15)25-26(21)22-24-18-10-4-5-11-19(18)29-22/h1-12,14,23H,13H2/b17-14+