2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoic acid

Systemtic Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoic acid Openeye Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetic acid CAS Name: 2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetic acid IUPAC Name: 2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetic acid Traditional Name: 2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)O)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)SCC(=O)O)C

InChI

InChI=1S/C15H14N4O2S/c1-9-13-10(2)19(11-6-4-3-5-7-11)18-14(13)15(17-16-9)22-8-12(20)21/h3-7H,8H2,1-2H3,(H,20,21)