methyl 3-[1-[3,5-bis(fluoranyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-[3,5-bis(fluoranyl)phenyl]propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(3,5-difluorophenyl)propyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(3,5-difluorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(3,5-difluorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(3,5-difluorophenyl)propyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C14H14F2N2O2S MolecularWeight: 312.334966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F2N2O2S/c1-3-11(8-4-9(15)6-10(16)5-8)18-12(13(19)20-2)7-17-14(18)21/h4-7,11H,3H2,1-2H3,(H,17,21)