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

Systemtic Name: 5-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-isopropyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3S/c1-6(2)9-13-14-11(15(9)12)19-5-7-3-4-8(18-7)10(16)17/h3-4,6H,5,12H2,1-2H3,(H,16,17)