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

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Formula: C11H8F3N5O4S MolecularWeight: 363.27253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NN=C(S2)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NN=C(S2)C(F)(F)F

InChI

InChI=1S/C11H8F3N5O4S/c1-23-7-4-5(19(21)22)2-3-6(7)15-9(20)16-10-18-17-8(24-10)11(12,13)14/h2-4H,1H3,(H2,15,16,18,20)