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

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C21H16FN3O2S MolecularWeight: 393.434043

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O2S/c22-17-8-10-18(11-9-17)24-21(28)25-23-14-15-6-12-19(13-7-15)27-20(26)16-4-2-1-3-5-16/h1-14H,(H2,24,25,28)/b23-14+