1-(5-fluoranyl-2,4-dimethoxy-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea

Systemtic Name: 1-(5-fluoranyl-2,4-dimethoxy-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea Openeye Name: 1-(5-fluoro-2,4-dimethoxy-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea CAS Name: 1-(5-fluoro-2,4-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea IUPAC Name: 1-(5-fluoro-2,4-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea Traditional Name: 1-(5-fluoro-2,4-dimethoxy-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiourea Formula: C12H10F4N4O2S2 MolecularWeight: 382.357013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=NN=C(S2)C(F)(F)F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=NN=C(S2)C(F)(F)F)F)OC

InChI

InChI=1S/C12H10F4N4O2S2/c1-21-7-4-8(22-2)6(3-5(7)13)17-10(23)18-11-20-19-9(24-11)12(14,15)16/h3-4H,1-2H3,(H2,17,18,20,23)