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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS/c1-2-3-4-5-6-12-17-26-18-20-23(19-13-8-7-9-14-19)28-29(24(20)30)25-27-21-15-10-11-16-22(21)31-25/h7-11,13-16,18,26H,2-6,12,17H2,1H3