3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H19N3O3S/c1-13-6-7-17(14(2)10-13)23-9-8-21-20(23)27-12-18(24)22-16-5-3-4-15(11-16)19(25)26/h3-11H,12H2,1-2H3,(H,22,24)(H,25,26)