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

Systemtic Name: O-butyl 5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbothioate Openeye Name: O-butyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioate CAS Name: 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioic acid O-butyl ester IUPAC Name: O-butyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbothioate Traditional Name: 5-keto-3-methyl-1-phenyl-3-pyrazoline-4-carbothioic acid O-butyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-3-4-10-19-15(20)13-11(2)16-17(14(13)18)12-8-6-5-7-9-12/h5-9,16H,3-4,10H2,1-2H3