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

Systemtic Name: 5-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoic acid Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C11H14N4O3S/c1-2-3-9-13-14-11(15(9)12)19-6-7-4-5-8(18-7)10(16)17/h4-5H,2-3,6,12H2,1H3,(H,16,17)