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

Systemtic Name: 3-[3-(butoxymethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-[3-(butoxymethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-[3-(butoxymethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-[3-(butoxymethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-[3-(butoxymethyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=NSC2=C1C=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F

Isomeric SMILES

CCCCOCC1=NSC2=C1C=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-3-4-7-27-10-13-12-8-11(5-6-14(12)28-22-13)24-16(25)9-15(18(19,20)21)23(2)17(24)26/h5-6,8-9H,3-4,7,10H2,1-2H3