S-[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-methylsulfanyl-pyrazol-4-yl] N-methylcarbamothioate

Systemtic Name: S-[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-methylsulfanyl-pyrazol-4-yl] N-methylcarbamothioate Openeye Name: S-[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-methylsulfanyl-pyrazol-4-yl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid S-[[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-(methylthio)-4-pyrazolyl]] ester IUPAC Name: S-[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-methylsulfanylpyrazol-4-yl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid S-[3-(4-chlorophenyl)-1-(methylcarbamoyl)-5-(methylthio)pyrazol-4-yl] ester Formula: C14H15ClN4O2S2 MolecularWeight: 370.8775

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)SC(=O)NC)SC

Isomeric SMILES

CNC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)SC(=O)NC)SC

InChI

InChI=1S/C14H15ClN4O2S2/c1-16-13(20)19-12(22-3)11(23-14(21)17-2)10(18-19)8-4-6-9(15)7-5-8/h4-7H,1-3H3,(H,16,20)(H,17,21)