ethyl 5-azanyl-1-(ethanoylcarbamothioyl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(ethanoylcarbamothioyl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(acetylcarbamothioyl)-5-amino-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 1-[acetamido(sulfanylidene)methyl]-5-amino-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(acetylcarbamothioyl)-5-amino-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 1-(acetylthiocarbamoyl)-5-amino-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C10H14N4O3S2 MolecularWeight: 302.37316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C(=S)NC(=O)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C(=S)NC(=O)C)N

InChI

InChI=1S/C10H14N4O3S2/c1-4-17-9(16)6-7(11)14(13-8(6)19-3)10(18)12-5(2)15/h4,11H2,1-3H3,(H,12,15,18)