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

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(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=CC=C(C=C2)C=NNC(=S)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

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

InChI

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