5-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-[(E)-(carbamothioylhydrazono)methyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 2-chloro-5-[5-[(E)-(thiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=NNC(=S)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)/C=N/NC(=S)N)C(=O)O)Cl

InChI

InChI=1S/C13H10ClN3O3S/c14-10-3-1-7(5-9(10)12(18)19)11-4-2-8(20-11)6-16-17-13(15)21/h1-6H,(H,18,19)(H3,15,17,21)/b16-6+