2-phenyl-4-propan-2-yloxy-5-sulfanyl-pyridazin-3-one

Systemtic Name: 2-phenyl-4-propan-2-yloxy-5-sulfanyl-pyridazin-3-one Openeye Name: 4-isopropoxy-2-phenyl-5-sulfanyl-pyridazin-3-one CAS Name: 5-mercapto-2-phenyl-4-propan-2-yloxy-3-pyridazinone IUPAC Name: 2-phenyl-4-propan-2-yloxy-5-sulfanylpyridazin-3-one Traditional Name: 4-isopropoxy-5-mercapto-2-phenyl-pyridazin-3-one Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=NN(C1=O)C2=CC=CC=C2)S

Isomeric SMILES

CC(C)OC1=C(C=NN(C1=O)C2=CC=CC=C2)S

InChI

InChI=1S/C13H14N2O2S/c1-9(2)17-12-11(18)8-14-15(13(12)16)10-6-4-3-5-7-10/h3-9,18H,1-2H3