3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-furoic acid Formula: C8H7N3O3S MolecularWeight: 225.22448

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1CSC2=NC=NN2)C(=O)O

Isomeric SMILES

C1=COC(=C1CSC2=NC=NN2)C(=O)O

InChI

InChI=1S/C8H7N3O3S/c12-7(13)6-5(1-2-14-6)3-15-8-9-4-10-11-8/h1-2,4H,3H2,(H,12,13)(H,9,10,11)