4-[[2-(1,5-diphenylimidazol-2-yl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(1,5-diphenylimidazol-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1,5-diphenylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(1,5-diphenyl-2-imidazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1,5-diphenylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(1,5-diphenylimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21N3O3S/c29-23(26-15-18-11-13-20(14-12-18)24(30)31)17-32-25-27-16-22(19-7-3-1-4-8-19)28(25)21-9-5-2-6-10-21/h1-14,16H,15,17H2,(H,26,29)(H,30,31)