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

Systemtic Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-(carbamothioylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-(carbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[(E)-(thiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester Formula: C13H13N5O2S MolecularWeight: 303.33962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O2S/c1-20-12(19)10-7-16-18(9-5-3-2-4-6-9)11(10)8-15-17-13(14)21/h2-8H,1H3,(H3,14,17,21)/b15-8+