4-[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(3-chloro-4-fluoro-phenyl)carbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(3-chloro-4-fluorophenyl)carbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]hydrazino]benzoic acid Formula: C14H11ClFN3O2S MolecularWeight: 339.772443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H11ClFN3O2S/c15-11-7-10(5-6-12(11)16)17-14(22)19-18-9-3-1-8(2-4-9)13(20)21/h1-7,18H,(H,20,21)(H2,17,19,22)