4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 4-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C13H9N3O2S2 MolecularWeight: 303.35946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C13H9N3O2S2/c17-12(18)8-3-5-9(6-4-8)16-11(14-15-13(16)19)10-2-1-7-20-10/h1-7H,(H,15,19)(H,17,18)