[4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate

Systemtic Name: [4-bromanyl-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C21H15BrFN3O2S MolecularWeight: 472.330103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H15BrFN3O2S/c22-16-6-11-19(28-20(27)14-4-2-1-3-5-14)15(12-16)13-24-26-21(29)25-18-9-7-17(23)8-10-18/h1-13H,(H2,25,26,29)/b24-13+