[2-methoxy-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(Z)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(Z)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(Z)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-12(2)21-18(26)22-20-10-13-6-7-15(16(9-13)24-3)25-17(23)14-5-4-8-19-11-14/h4-12H,1-3H3,(H2,21,22,26)/b20-10-