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

Systemtic Name: 5-[[4-azanyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoate Formula: C12H15N4O3S- MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-7(2)5-10-14-15-12(16(10)13)20-6-8-3-4-9(19-8)11(17)18/h3-4,7H,5-6,13H2,1-2H3,(H,17,18)/p-1