ethyl 2-methyl-5-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-methyl-5-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-methyl-5-phenyl-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-methyl-5-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-phenyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1-methyl-3-phenyl-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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