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

Systemtic Name: [4-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-(2-methylallylcarbamothioylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-(2-methylallylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-13(2)10-20-18(25)22-21-11-14-5-7-16(8-6-14)24-17(23)15-4-3-9-19-12-15/h3-9,11-12H,1,10H2,2H3,(H2,20,22,25)/b21-11+