4-[(E)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[(4-fluorophenyl)methylcarbamothioylhydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[(4-fluorobenzyl)thiocarbamoylhydrazono]methyl]benzoic acid Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NN=CC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)N/N=C/C2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C16H14FN3O2S/c17-14-7-3-11(4-8-14)9-18-16(23)20-19-10-12-1-5-13(6-2-12)15(21)22/h1-8,10H,9H2,(H,21,22)(H2,18,20,23)/b19-10+