3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(3-isothiocyanato-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C14H7F3N4O2S2 MolecularWeight: 384.35619

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3N=C=S)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=CC3=C(C=C2)SN=C3N=C=S)C(F)(F)F

InChI

InChI=1S/C14H7F3N4O2S2/c1-20-10(14(15,16)17)5-11(22)21(13(20)23)7-2-3-9-8(4-7)12(18-6-24)19-25-9/h2-5H,1H3