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

Systemtic Name: methyl 5-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C12H16N4O3S/c1-3-4-10-14-15-12(16(10)13)20-7-8-5-6-9(19-8)11(17)18-2/h5-6H,3-4,7,13H2,1-2H3