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

Systemtic Name: methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate Openeye Name: methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazono)methyl]pyrazole-4-carboxylate CAS Name: 5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)/b20-13+