2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(1-morpholinopropylidene)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(4-morpholinyl)propylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1-morpholin-4-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1-morpholinopropylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C18H17F3N4O2S MolecularWeight: 410.41339

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCOCC4

Isomeric SMILES

CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C18H17F3N4O2S/c1-2-12(24-7-9-27-10-8-24)14-15(18(19,20)21)23-25(16(14)26)17-22-11-5-3-4-6-13(11)28-17/h3-6H,2,7-10H2,1H3