5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 5-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-furancarboxylic acid IUPAC Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 5-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-furoic acid Formula: C9H9N3O3S MolecularWeight: 239.25106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)CSC2=NC=NN2)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)CSC2=NC=NN2)C(=O)O

InChI

InChI=1S/C9H9N3O3S/c1-5-2-6(8(13)14)7(15-5)3-16-9-10-4-11-12-9/h2,4H,3H2,1H3,(H,13,14)(H,10,11,12)