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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CC1N/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C20H16N4OS/c25-19-15(12-21-14-10-11-14)18(13-6-2-1-3-7-13)23-24(19)20-22-16-8-4-5-9-17(16)26-20/h1-9,12,14,21H,10-11H2/b15-12+