methyl 4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]benzoate CAS Name: 4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]benzoic acid methyl ester Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H14FN3O2S/c1-22-15(21)12-4-2-11(3-5-12)10-18-20-16(23)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H2,19,20,23)/b18-10+