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

Systemtic Name: 2-chloranyl-5-[5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(E)-(methylcarbamothioylhydrazono)methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(E)-(methylthiocarbamoylhydrazono)methyl]-2-furyl]benzoic acid Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CNC(=S)N/N=C/C1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H12ClN3O3S/c1-16-14(22)18-17-7-9-3-5-12(21-9)8-2-4-11(15)10(6-8)13(19)20/h2-7H,1H3,(H,19,20)(H2,16,18,22)/b17-7+