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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C16H15F3N4O2S MolecularWeight: 384.37611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N4O2S/c1-25-8-4-7-20-9-10-13(16(17,18)19)22-23(14(10)24)15-21-11-5-2-3-6-12(11)26-15/h2-3,5-6,9,20H,4,7-8H2,1H3