1-(3-cyanophenyl)-3-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]urea Formula: C33H29N5OS MolecularWeight: 543.68126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCCNC(=O)NC3=CC=CC(=C3)C#N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29N5OS/c34-24-25-13-12-18-28(23-25)36-32(39)35-21-10-11-22-40-33-37-30(26-14-4-1-5-15-26)31(27-16-6-2-7-17-27)38(33)29-19-8-3-9-20-29/h1-9,12-20,23H,10-11,21-22H2,(H2,35,36,39)