3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 3-[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 3-[[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 3-[[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]acetyl]amino]methyl]benzoic acid Formula: C19H16N4O5S MolecularWeight: 412.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H16N4O5S/c24-17(20-9-12-2-1-3-14(8-12)18(25)26)11-29-19-21-10-16(22-19)13-4-6-15(7-5-13)23(27)28/h1-8,10H,9,11H2,(H,20,24)(H,21,22)(H,25,26)