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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N/C=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4OS/c27-21-17(14-23-16-10-4-5-11-16)20(15-8-2-1-3-9-15)25-26(21)22-24-18-12-6-7-13-19(18)28-22/h1-3,6-9,12-14,16,23H,4-5,10-11H2/b17-14+