methyl 5-[[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC#N)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SCC#N)N

InChI

InChI=1S/C11H11N5O3S/c1-18-9(17)8-3-2-7(19-8)6-16-10(13)14-15-11(16)20-5-4-12/h2-3H,5-6H2,1H3,(H2,13,14)