5-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: 5-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate Openeye Name: 5-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-furoate Formula: C9H8N3O3S- MolecularWeight: 238.24312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CSC2=NC=NN2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CSC2=NC=NN2

InChI

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