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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=NN2

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=NN2

InChI

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