4-iodanyl-N-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethyl]benzamide

Systemtic Name: 4-iodanyl-N-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethyl]benzamide Openeye Name: 4-iodo-N-[2-(1-tritylsulfanylimidazol-4-yl)ethyl]benzamide CAS Name: 4-iodo-N-[2-[1-[(triphenylmethyl)thio]-4-imidazolyl]ethyl]benzamide IUPAC Name: 4-iodo-N-[2-(1-tritylsulfanylimidazol-4-yl)ethyl]benzamide Traditional Name: 4-iodo-N-[2-[1-(tritylthio)imidazol-4-yl]ethyl]benzamide Formula: C31H26IN3OS MolecularWeight: 615.52711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)C5=CC=C(C=C5)I

InChI

InChI=1S/C31H26IN3OS/c32-28-18-16-24(17-19-28)30(36)33-21-20-29-22-35(23-34-29)37-31(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H,33,36)