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

Systemtic Name: [4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-[(2-nitrophenyl)carbamothioylhydrazono]methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-nitrophenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-[(2-nitrophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c26-19(15-4-3-11-21-13-15)29-16-9-7-14(8-10-16)12-22-24-20(30)23-17-5-1-2-6-18(17)25(27)28/h1-13H,(H2,23,24,30)/b22-12+