4-tert-butyl-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Openeye Name: 4-tert-butyl-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide CAS Name: 4-tert-butyl-N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]benzamide Formula: C36H37N3OS MolecularWeight: 559.76348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H37N3OS/c1-36(2,3)30-23-21-29(22-24-30)34(40)37-25-13-14-26-41-35-38-32(27-15-7-4-8-16-27)33(28-17-9-5-10-18-28)39(35)31-19-11-6-12-20-31/h4-12,15-24H,13-14,25-26H2,1-3H3,(H,37,40)