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

Systemtic Name: 5-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoic acid Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H18N4O3S/c1-3-8(4-2)11-15-16-13(17(11)14)21-7-9-5-6-10(20-9)12(18)19/h5-6,8H,3-4,7,14H2,1-2H3,(H,18,19)