5-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furoate Formula: C8H7N4O3S- MolecularWeight: 239.23118

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])CSC2=NNC(=N2)N

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])CSC2=NNC(=N2)N

InChI

InChI=1S/C8H8N4O3S/c9-7-10-8(12-11-7)16-3-4-1-2-5(15-4)6(13)14/h1-2H,3H2,(H,13,14)(H3,9,10,11,12)/p-1