2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(1-imidazolyl)propylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCN3C=CN=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCN3C=CN=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N6OS/c30-22-18(15-24-11-6-13-28-14-12-25-16-28)21(17-7-2-1-3-8-17)27-29(22)23-26-19-9-4-5-10-20(19)31-23/h1-5,7-10,12,14-16,24H,6,11,13H2