2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[2-phenyl-5-(p-tolylsulfonyl)-1H-imidazol-4-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]acetic acid Traditional Name: 2-[(2-phenyl-5-tosyl-1H-imidazol-4-yl)thio]acetic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C18H16N2O4S2/c1-12-7-9-14(10-8-12)26(23,24)18-17(25-11-15(21)22)19-16(20-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)(H,21,22)