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

Systemtic Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-3-8-20-18(26)22-21-11-13-6-7-15(16(10-13)24-2)25-17(23)14-5-4-9-19-12-14/h3-7,9-12H,1,8H2,2H3,(H2,20,22,26)/b21-11+