3-chloranyl-6-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-chloranyl-6-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-chloro-6-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzothiophene-2-carboxylic acid CAS Name: 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-chloro-6-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzothiophene-2-carboxylic acid Formula: C17H9ClFN3O2S2 MolecularWeight: 405.853663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2C3=CC4=C(C=C3)C(=C(S4)C(=O)O)Cl)F

InChI

InChI=1S/C17H9ClFN3O2S2/c18-13-11-6-5-10(7-12(11)26-14(13)16(23)24)22-15(20-21-17(22)25)8-1-3-9(19)4-2-8/h1-7H,(H,21,25)(H,23,24)