tert-butyl 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C13H18N4O3S/c1-8-9(5-6-19-8)11-15-16-12(17(11)14)21-7-10(18)20-13(2,3)4/h5-6H,7,14H2,1-4H3