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

Systemtic Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-ethoxy-2-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-ethoxy-2-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Formula: C12H10F3N5O4S MolecularWeight: 377.29911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H10F3N5O4S/c1-2-24-6-3-4-7(8(5-6)20(22)23)16-10(21)17-11-19-18-9(25-11)12(13,14)15/h3-5H,2H2,1H3,(H2,16,17,19,21)