methyl 1-(4-chlorophenyl)-5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-5-[(E)-(methylcarbamothioylhydrazono)methyl]pyrazole-4-carboxylate CAS Name: 1-(4-chlorophenyl)-5-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-5-[(E)-(methylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester Formula: C14H14ClN5O2S MolecularWeight: 351.81126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CNC(=S)N/N=C/C1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H14ClN5O2S/c1-16-14(23)19-17-8-12-11(13(21)22-2)7-18-20(12)10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H2,16,19,23)/b17-8+