methyl 5-methyl-3-(2-sulfanylethylsulfanyl)-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-methyl-3-(2-sulfanylethylsulfanyl)-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-methyl-3-(2-sulfanylethylsulfanyl)-1H-pyrazole-4-carboxylate CAS Name: 3-(2-mercaptoethylthio)-5-methyl-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-(2-sulfanylethylsulfanyl)-1H-pyrazole-4-carboxylate Traditional Name: 3-(2-mercaptoethylthio)-5-methyl-1H-pyrazole-4-carboxylic acid methyl ester Formula: C8H12N2O2S2 MolecularWeight: 232.32308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCCS)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1)SCCS)C(=O)OC

InChI

InChI=1S/C8H12N2O2S2/c1-5-6(8(11)12-2)7(10-9-5)14-4-3-13/h13H,3-4H2,1-2H3,(H,9,10)