ethyl 2,5-dimethyl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2,5-dimethyl-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2,5-dimethyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1,3-dimethyl-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-4-12-8(11)6-5(2)9-10(3)7(6)13/h9H,4H2,1-3H3