methyl 3-[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C15H14F4N2O2S MolecularWeight: 362.342473

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)C(F)(F)F)F)N2C(=CNC2=S)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=C(C=C1)C(F)(F)F)F)N2C(=CNC2=S)C(=O)OC

InChI

InChI=1S/C15H14F4N2O2S/c1-3-11(21-12(13(22)23-2)7-20-14(21)24)8-4-5-9(10(16)6-8)15(17,18)19/h4-7,11H,3H2,1-2H3,(H,20,24)