1-(4-methoxy-2-methylsulfanyl-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-methoxy-2-methylsulfanyl-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-methoxy-2-methylsulfanyl-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-[4-methoxy-2-(methylthio)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxy-2-methylsulfanylphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[4-methoxy-2-(methylthio)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Formula: C12H11F3N4O2S2 MolecularWeight: 364.36655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)SC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)SC

InChI

InChI=1S/C12H11F3N4O2S2/c1-21-6-3-4-7(8(5-6)22-2)16-10(20)17-11-19-18-9(23-11)12(13,14)15/h3-5H,1-2H3,(H2,16,17,19,20)