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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/NCCCO

InChI

InChI=1S/C21H20N4O2S/c1-14(22-12-7-13-26)18-19(15-8-3-2-4-9-15)24-25(20(18)27)21-23-16-10-5-6-11-17(16)28-21/h2-6,8-11,22,26H,7,12-13H2,1H3/b18-14+