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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidin-1-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(1-piperidyl)propylidene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(1-piperidinyl)propylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidin-1-ylpropylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1-piperidinopropylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C19H19F3N4OS MolecularWeight: 408.44057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4OS/c1-2-13(25-10-6-3-7-11-25)15-16(19(20,21)22)24-26(17(15)27)18-23-12-8-4-5-9-14(12)28-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3