1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-2-sulfanylidene-imidazolidin-4-one Openeye Name: 1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-2-thioxo-imidazolidin-4-one CAS Name: 1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-2-sulfanylideneimidazolidin-4-one Traditional Name: 1-hexyl-5,5-bis[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-2-thioxo-4-imidazolidinone Formula: C55H52N6OS MolecularWeight: 845.10598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=S)NC(=O)C1(C(C2=CN=CN2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CN=CN6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCCCN1C(=S)NC(=O)C1(C(C2=CN=CN2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CN=CN6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C55H52N6OS/c1-2-3-4-23-36-61-52(63)60-51(62)55(61,49(47-37-56-39-58-47)53(41-24-11-5-12-25-41,42-26-13-6-14-27-42)43-28-15-7-16-29-43)50(48-38-57-40-59-48)54(44-30-17-8-18-31-44,45-32-19-9-20-33-45)46-34-21-10-22-35-46/h5-22,24-35,37-40,49-50H,2-4,23,36H2,1H3,(H,56,58)(H,57,59)(H,60,62,63)