4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]-1-morpholino-butan-1-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)N3CCOCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)N3CCOCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-18-5-9-20(10-6-18)23-24(21-11-7-19(2)8-12-21)27-25(26-23)31-17-3-4-22(29)28-13-15-30-16-14-28/h5-12H,3-4,13-17H2,1-2H3,(H,26,27)