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

Systemtic Name: 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 5-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-furancarboxylic acid IUPAC Name: 5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 5-[(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=C(OC(=C1)C(=O)O)CSC2=NC=NN2

Isomeric SMILES

C1=C(OC(=C1)C(=O)O)CSC2=NC=NN2

InChI

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