1,1-bis(oxidanylidene)-6-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine

Systemtic Name: 1,1-bis(oxidanylidene)-6-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine Openeye Name: 1,1-dioxo-6-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine CAS Name: 1,1-dioxo-6-(2-pyrimidinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine IUPAC Name: 1,1-dioxo-6-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-1,2-benzothiazol-3-amine Traditional Name: [1,1-diketo-6-(2-pyrimidyl)-1,2-benzothiazol-3-yl]-(4-triflylphenyl)amine Formula: C18H11F3N4O4S2 MolecularWeight: 468.42955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=CC3=C(C=C2)C(=NS3(=O)=O)NC4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CN=C(N=C1)C2=CC3=C(C=C2)C(=NS3(=O)=O)NC4=CC=C(C=C4)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H11F3N4O4S2/c19-18(20,21)30(26,27)13-5-3-12(4-6-13)24-17-14-7-2-11(16-22-8-1-9-23-16)10-15(14)31(28,29)25-17/h1-10H,(H,24,25)