N-(4,6-dimethylpyrimidin-2-yl)-5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-amine

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-5-[[3-(4-fluoranylphenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-amine Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-amine CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-amine IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-5-[[3-(4-fluorophenoxy)phenyl]methylsulfonyl]-1,2,4-thiadiazol-3-amine Traditional Name: (4,6-dimethylpyrimidin-2-yl)-[5-[3-(4-fluorophenoxy)benzyl]sulfonyl-1,2,4-thiadiazol-3-yl]amine Formula: C21H18FN5O3S2 MolecularWeight: 471.527723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=NSC(=N2)S(=O)(=O)CC3=CC(=CC=C3)OC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NSC(=N2)S(=O)(=O)CC3=CC(=CC=C3)OC4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H18FN5O3S2/c1-13-10-14(2)24-19(23-13)25-20-26-21(31-27-20)32(28,29)12-15-4-3-5-18(11-15)30-17-8-6-16(22)7-9-17/h3-11H,12H2,1-2H3,(H,23,24,25,27)