2-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[1-(triphenylmethyl)sulfanylimidazol-4-yl]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-(1-tritylsulfanylimidazol-4-yl)ethylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[2-[1-[(triphenylmethyl)thio]-4-imidazolyl]ethylamino]methyl]benzoic acid IUPAC Name: 2-[2-(1-tritylsulfanylimidazol-4-yl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[1-(tritylthio)imidazol-4-yl]ethylcarbamoyl]benzoic acid Formula: C32H27N3O3S MolecularWeight: 533.64008

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=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C32H27N3O3S/c36-30(28-18-10-11-19-29(28)31(37)38)33-21-20-27-22-35(23-34-27)39-32(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22-23H,20-21H2,(H,33,36)(H,37,38)