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

Systemtic Name: 1-methyl-3-(3-methyl-4-propan-2-ylsulfanyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(4-isopropylsulfanyl-3-methyl-1,2-benzothiazol-5-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-methyl-3-[3-methyl-4-(propan-2-ylthio)-1,2-benzothiazol-5-yl]-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(3-methyl-4-propan-2-ylsulfanyl-1,2-benzothiazol-5-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-[4-(isopropylthio)-3-methyl-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C17H16F3N3O2S2 MolecularWeight: 415.45305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC2=C1C(=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)SC(C)C

Isomeric SMILES

CC1=NSC2=C1C(=C(C=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)SC(C)C

InChI

InChI=1S/C17H16F3N3O2S2/c1-8(2)26-15-10(5-6-11-14(15)9(3)21-27-11)23-13(24)7-12(17(18,19)20)22(4)16(23)25/h5-8H,1-4H3