4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxylic acid

Systemtic Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxylic acid Openeye Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[3-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxylic acid Traditional Name: 4-[3-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxylic acid Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)O

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)O

InChI

InChI=1S/C22H22N2O3S/c1-16-23-11-12-24(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(25)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,25,26)