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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-oxidanylpropylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCO)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=CNCCCO)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S/c25-12-6-11-21-13-15-18(14-7-2-1-3-8-14)23-24(19(15)26)20-22-16-9-4-5-10-17(16)27-20/h1-5,7-10,13,21,25H,6,11-12H2