methyl 5-chloranyl-2-methyl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-chloranyl-2-methyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-chloro-2-methyl-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 5-chloro-2-methyl-3-sulfanylidene-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-methyl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 3-chloro-1-methyl-5-thioxo-3-pyrazoline-4-carboxylic acid methyl ester Formula: C6H7ClN2O2S MolecularWeight: 206.64998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)C(=C(N1)Cl)C(=O)OC

Isomeric SMILES

CN1C(=S)C(=C(N1)Cl)C(=O)OC

InChI

InChI=1S/C6H7ClN2O2S/c1-9-5(12)3(4(7)8-9)6(10)11-2/h8H,1-2H3