5-[[4-azanyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-azanyl-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-amino-5-(ethylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-amino-5-[(ethylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furoic acid Formula: C11H14N4O3S2 MolecularWeight: 314.38386

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCSCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H14N4O3S2/c1-2-19-6-9-13-14-11(15(9)12)20-5-7-3-4-8(18-7)10(16)17/h3-4H,2,5-6,12H2,1H3,(H,16,17)