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

Systemtic Name: 5-[[4-azanyl-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-amino-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-amino-5-[(propylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-amino-5-(propylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-amino-5-[(propylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C12H15N4O3S2- MolecularWeight: 327.4025

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCSCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H16N4O3S2/c1-2-5-20-7-10-14-15-12(16(10)13)21-6-8-3-4-9(19-8)11(17)18/h3-4H,2,5-7,13H2,1H3,(H,17,18)/p-1