2-(1,3-benzothiazol-2-yl)-4-(1-piperidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(1-piperidyl)ethylidene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(1-piperidinyl)ethylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidinoethylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C18H17F3N4OS MolecularWeight: 394.41399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCCCC4

Isomeric SMILES

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCCCC4

InChI

InChI=1S/C18H17F3N4OS/c1-11(24-9-5-2-6-10-24)14-15(18(19,20)21)23-25(16(14)26)17-22-12-7-3-4-8-13(12)27-17/h3-4,7-8H,2,5-6,9-10H2,1H3