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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

COCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-27-13-7-12-22-14-16-19(15-8-3-2-4-9-15)24-25(20(16)26)21-23-17-10-5-6-11-18(17)28-21/h2-6,8-11,14,22H,7,12-13H2,1H3