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

Systemtic Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-(carbamothioylhydrazono)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-5-[(E)-(thiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester Formula: C13H12ClN5O2S MolecularWeight: 337.78468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C=NNC(=S)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)/C=N/NC(=S)N

InChI

InChI=1S/C13H12ClN5O2S/c1-21-12(20)10-6-17-19(9-4-2-8(14)3-5-9)11(10)7-16-18-13(15)22/h2-7H,1H3,(H3,15,18,22)/b16-7+