2-chloranyl-5-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 2-chloranyl-5-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 2-chloro-5-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 2-chloro-5-[3-(2-furanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 2-chloro-5-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 2-chloro-5-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C13H7ClN3O3S- MolecularWeight: 320.73098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C13H8ClN3O3S/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)21)10-2-1-5-20-10/h1-6H,(H,16,21)(H,18,19)/p-1