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

Systemtic Name: 4-[2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S/c1-12-17(13-5-3-2-4-6-13)22-19(20-12)26-11-16(23)21-15-9-7-14(8-10-15)18(24)25/h2-10H,11H2,1H3,(H,20,22)(H,21,23)(H,24,25)