O-ethyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbothioate

Systemtic Name: O-ethyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbothioate Openeye Name: O-ethyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioic acid O-ethyl ester IUPAC Name: O-ethyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbothioic acid O-ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-3-17-13(18)11-9(2)14-15(12(11)16)10-7-5-4-6-8-10/h4-8,14H,3H2,1-2H3