4-ethanethioyl-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-ethanethioyl-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-ethanethioyl-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-(1-sulfanylideneethyl)-1H-pyrazol-3-one IUPAC Name: 4-ethanethioyl-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-thioacetyl-3-pyrazolin-3-one Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=S)C

InChI

InChI=1S/C12H12N2OS/c1-8-11(9(2)16)12(15)14(13-8)10-6-4-3-5-7-10/h3-7,13H,1-2H3