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

Systemtic Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c1-17(2,3)20-16(25)21-18-11-14-13(15(23)24-4)10-19-22(14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H2,20,21,25)/b18-11+