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

Systemtic Name: 2-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C11H12N4O4S2 MolecularWeight: 328.36738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C(=NN2C)C)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C(=NN2C)C)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C11H12N4O4S2/c1-5-7(4-8(16)17)20-11(12-5)21-10-9(15(18)19)6(2)13-14(10)3/h4H2,1-3H3,(H,16,17)