4-[1-[2-(2,6-dimethoxyphenyl)imidazol-1-yl]ethylsulfanyl]benzoic acid

Systemtic Name: 4-[1-[2-(2,6-dimethoxyphenyl)imidazol-1-yl]ethylsulfanyl]benzoic acid Openeye Name: 4-[1-[2-(2,6-dimethoxyphenyl)imidazol-1-yl]ethylsulfanyl]benzoic acid CAS Name: 4-[1-[2-(2,6-dimethoxyphenyl)-1-imidazolyl]ethylthio]benzoic acid IUPAC Name: 4-[1-[2-(2,6-dimethoxyphenyl)imidazol-1-yl]ethylsulfanyl]benzoic acid Traditional Name: 4-[1-[2-(2,6-dimethoxyphenyl)imidazol-1-yl]ethylthio]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=CN=C1C2=C(C=CC=C2OC)OC)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(N1C=CN=C1C2=C(C=CC=C2OC)OC)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c1-13(27-15-9-7-14(8-10-15)20(23)24)22-12-11-21-19(22)18-16(25-2)5-4-6-17(18)26-3/h4-13H,1-3H3,(H,23,24)