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

Systemtic Name: 1-(3-bromophenyl)-3-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]urea Openeye Name: 1-(3-bromophenyl)-3-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]urea CAS Name: 1-(3-bromophenyl)-3-[2-[(1,4,5-triphenyl-2-imidazolyl)thio]ethyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]urea Traditional Name: 1-(3-bromophenyl)-3-[2-[(1,4,5-triphenylimidazol-2-yl)thio]ethyl]urea Formula: C30H25BrN4OS MolecularWeight: 569.5147

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H25BrN4OS/c31-24-15-10-16-25(21-24)33-29(36)32-19-20-37-30-34-27(22-11-4-1-5-12-22)28(23-13-6-2-7-14-23)35(30)26-17-8-3-9-18-26/h1-18,21H,19-20H2,(H2,32,33,36)