1-(3-bromophenyl)-3-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]urea

Systemtic Name: 1-(3-bromophenyl)-3-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]urea Openeye Name: 1-(3-bromophenyl)-3-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]urea CAS Name: 1-(3-bromophenyl)-3-[3-[(1,4,5-triphenyl-2-imidazolyl)thio]propyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]urea Traditional Name: 1-(3-bromophenyl)-3-[3-[(1,4,5-triphenylimidazol-2-yl)thio]propyl]urea Formula: C31H27BrN4OS MolecularWeight: 583.54128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCNC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27BrN4OS/c32-25-16-10-17-26(22-25)34-30(37)33-20-11-21-38-31-35-28(23-12-4-1-5-13-23)29(24-14-6-2-7-15-24)36(31)27-18-8-3-9-19-27/h1-10,12-19,22H,11,20-21H2,(H2,33,34,37)