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

Systemtic Name: methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazono]methyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-[[(4-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-[(4-chlorophenyl)thiocarbamoylhydrazono]methyl]-1-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN5O2S/c1-27-18(26)16-11-22-25(15-5-3-2-4-6-15)17(16)12-21-24-19(28)23-14-9-7-13(20)8-10-14/h2-12H,1H3,(H2,23,24,28)/b21-12+