4-ethanethioyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-ethanethioyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-ethanethioyl-2-phenyl-1H-pyrazol-3-one CAS Name: 2-phenyl-4-(1-sulfanylideneethyl)-1H-pyrazol-3-one IUPAC Name: 4-ethanethioyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-thioacetyl-3-pyrazolin-3-one Formula: C11H10N2OS MolecularWeight: 218.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C1=CNN(C1=O)C2=CC=CC=C2

Isomeric SMILES

CC(=S)C1=CNN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2OS/c1-8(15)10-7-12-13(11(10)14)9-5-3-2-4-6-9/h2-7,12H,1H3