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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pentylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pentylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pentylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(pentylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-4-[(amylamino)methylene]-2-(1,3-benzothiazol-2-yl)-5-phenyl-2-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4OS/c1-2-3-9-14-23-15-17-20(16-10-5-4-6-11-16)25-26(21(17)27)22-24-18-12-7-8-13-19(18)28-22/h4-8,10-13,15,23H,2-3,9,14H2,1H3/b17-15+