2-[2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H14ClN3O2S2 MolecularWeight: 331.84146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=C(N(N=C2C)C)Cl)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=C(N(N=C2C)C)Cl)CC(=O)O

InChI

InChI=1S/C12H14ClN3O2S2/c1-6-8(11(13)16(3)15-6)5-19-12-14-7(2)9(20-12)4-10(17)18/h4-5H2,1-3H3,(H,17,18)