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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=NC=NN2)C(=O)O

Isomeric SMILES

CC1=C(OC(=C1)CSC2=NC=NN2)C(=O)O

InChI

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