[4-[(E)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(butylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(butylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC

Isomeric SMILES

CCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CN=CC=C2)OC

InChI

InChI=1S/C19H22N4O3S/c1-3-4-10-21-19(27)23-22-12-14-7-8-16(17(11-14)25-2)26-18(24)15-6-5-9-20-13-15/h5-9,11-13H,3-4,10H2,1-2H3,(H2,21,23,27)/b22-12+