2-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-[4,5-bis(p-tolyl)thiazol-2-yl]-2-sulfanyl-acetic acid CAS Name: 2-[4,5-bis(4-methylphenyl)-2-thiazolyl]-2-mercaptoacetic acid IUPAC Name: 2-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-sulfanylacetic acid Traditional Name: 2-[4,5-bis(p-tolyl)thiazol-2-yl]-2-mercapto-acetic acid Formula: C19H17NO2S2 MolecularWeight: 355.47378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S2/c1-11-3-7-13(8-4-11)15-17(14-9-5-12(2)6-10-14)24-18(20-15)16(23)19(21)22/h3-10,16,23H,1-2H3,(H,21,22)