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

Systemtic Name: [2-methoxy-4-[(E)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(benzylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(E)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(benzylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(benzylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC2=CC=CC=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NCC2=CC=CC=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H20N4O3S/c1-28-20-12-17(9-10-19(20)29-21(27)18-8-5-11-23-15-18)14-25-26-22(30)24-13-16-6-3-2-4-7-16/h2-12,14-15H,13H2,1H3,(H2,24,26,30)/b25-14+