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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C14H11F3N4OS MolecularWeight: 340.32355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N4OS/c1-20(2)7-8-11(14(15,16)17)19-21(12(8)22)13-18-9-5-3-4-6-10(9)23-13/h3-7H,1-2H3