S-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) ethanethioate

Systemtic Name: S-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) ethanethioate Openeye Name: S-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl) ethanethioate CAS Name: ethanethioic acid S-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl) ester IUPAC Name: S-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl) ethanethioate Traditional Name: ethanethioic acid S-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl) ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C13H14N2O2S/c1-9-12(18-10(2)16)13(17)15(14(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3