[4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(Z)-(cyclohexylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(Z)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(Z)-(cyclohexylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2CCCCC2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NC2CCCCC2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H24N4O3S/c1-27-19-13-15(14-23-25-21(29)24-17-5-3-2-4-6-17)7-8-18(19)28-20(26)16-9-11-22-12-10-16/h7-14,17H,2-6H2,1H3,(H2,24,25,29)/b23-14-