2-[3-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-2-sulfanylidene-imidazol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-2-sulfanylidene-imidazol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-2-thioxo-imidazol-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-2-sulfanylidene-1-imidazolyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-2-sulfanylideneimidazol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-(4-chlorophenyl)-4-(4-fluorobenzyl)-2-thioxo-4-imidazolin-1-yl]-1-pyrrolidino-ethanone Formula: C22H21ClFN3OS MolecularWeight: 429.938043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C=C(N(C2=S)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)CN2C=C(N(C2=S)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN3OS/c23-17-5-9-19(10-6-17)27-20(13-16-3-7-18(24)8-4-16)14-26(22(27)29)15-21(28)25-11-1-2-12-25/h3-10,14H,1-2,11-13,15H2