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

Systemtic Name: 5-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C11H12N4O3S/c12-15-9(6-1-2-6)13-14-11(15)19-5-7-3-4-8(18-7)10(16)17/h3-4,6H,1-2,5,12H2,(H,16,17)