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

Systemtic Name: butyl 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1N)C2=C(OC=C2)C

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1N)C2=C(OC=C2)C

InChI

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