[4-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]phenyl] cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: [4-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]phenyl] cyclohexa-1,5-diene-1-carboxylate Openeye Name: [4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazono]methyl]phenyl] cyclohexa-1,5-diene-1-carboxylate CAS Name: 1-cyclohexa-1,5-dienecarboxylic acid [4-[(E)-[[1-oxo-2-(2-pyrimidinylthio)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]phenyl] cyclohexa-1,5-diene-1-carboxylate Traditional Name: cyclohexa-1,5-diene-1-carboxylic acid [4-[(E)-[[2-(2-pyrimidylthio)acetyl]hydrazono]methyl]phenyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H18N4O3S/c25-18(14-28-20-21-11-4-12-22-20)24-23-13-15-7-9-17(10-8-15)27-19(26)16-5-2-1-3-6-16/h2,4-13H,1,3,14H2,(H,24,25)/b23-13+