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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(octylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C20H23F3N4OS MolecularWeight: 424.48303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N4OS/c1-2-3-4-5-6-9-12-24-13-14-17(20(21,22)23)26-27(18(14)28)19-25-15-10-7-8-11-16(15)29-19/h7-8,10-11,13,24H,2-6,9,12H2,1H3