2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-thienylmethylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-thenylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H11F3N4OS2 MolecularWeight: 408.42065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CC=CS4)C(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CNCC4=CC=CS4)C(=N3)C(F)(F)F

InChI

InChI=1S/C17H11F3N4OS2/c18-17(19,20)14-11(9-21-8-10-4-3-7-26-10)15(25)24(23-14)16-22-12-5-1-2-6-13(12)27-16/h1-7,9,21H,8H2