2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3,5-dichloro-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl)sulfanyl]phenyl]acetic acid CAS Name: 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)thio]phenyl]acetic acid IUPAC Name: 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetic acid Traditional Name: 2-[3,5-dichloro-4-[(5-isopropyl-6-keto-1H-pyridazin-3-yl)thio]phenyl]acetic acid Formula: C15H14Cl2N2O3S MolecularWeight: 373.25426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NNC1=O)SC2=C(C=C(C=C2Cl)CC(=O)O)Cl

Isomeric SMILES

CC(C)C1=CC(=NNC1=O)SC2=C(C=C(C=C2Cl)CC(=O)O)Cl

InChI

InChI=1S/C15H14Cl2N2O3S/c1-7(2)9-6-12(18-19-15(9)22)23-14-10(16)3-8(4-11(14)17)5-13(20)21/h3-4,6-7H,5H2,1-2H3,(H,19,22)(H,20,21)