4-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide

Systemtic Name: 4-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Openeye Name: 4-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide CAS Name: 4-butyl-N-[3-[(1,4,5-triphenyl-2-imidazolyl)thio]propyl]benzamide IUPAC Name: 4-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide Traditional Name: 4-butyl-N-[3-[(1,4,5-triphenylimidazol-2-yl)thio]propyl]benzamide Formula: C35H35N3OS MolecularWeight: 545.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H35N3OS/c1-2-3-14-27-21-23-30(24-22-27)34(39)36-25-13-26-40-35-37-32(28-15-7-4-8-16-28)33(29-17-9-5-10-18-29)38(35)31-19-11-6-12-20-31/h4-12,15-24H,2-3,13-14,25-26H2,1H3,(H,36,39)