N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylpropyl]-2-fluoro-benzamide CAS Name: N-[3-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]propyl]-2-fluorobenzamide IUPAC Name: N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-2-fluorobenzamide Traditional Name: N-[3-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]propyl]-2-fluoro-benzamide Formula: C29H30FN3OS MolecularWeight: 487.631403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCNC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCNC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H30FN3OS/c1-4-33-27(23-16-12-21(3)13-17-23)26(22-14-10-20(2)11-15-22)32-29(33)35-19-7-18-31-28(34)24-8-5-6-9-25(24)30/h5-6,8-17H,4,7,18-19H2,1-3H3,(H,31,34)