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

Systemtic Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylate Openeye Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylate CAS Name: 5-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-furancarboxylate IUPAC Name: 5-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-3-carboxylate Traditional Name: 5-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-furoate Formula: C9H8N3O3S- MolecularWeight: 238.24312

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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)/p-1