3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chloranyl-benzoate

Systemtic Name: 3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chloranyl-benzoate Openeye Name: 3-[5-[(E)-(carbamothioylhydrazono)methyl]-2-furyl]-4-chloro-benzoate CAS Name: 3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-furanyl]-4-chlorobenzoate IUPAC Name: 3-[5-[(E)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoate Traditional Name: 4-chloro-3-[5-[(E)-(thiocarbamoylhydrazono)methyl]-2-furyl]benzoate Formula: C13H9ClN3O3S- MolecularWeight: 322.74686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C2=CC=C(O2)C=NNC(=S)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C2=CC=C(O2)/C=N/NC(=S)N)Cl

InChI

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