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

Systemtic Name: methyl 5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-(methylcarbamothioylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-(methylthiocarbamoylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2S/c1-15-14(22)18-16-9-12-11(13(20)21-2)8-17-19(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,15,18,22)/b16-9+