ethyl 2-[5-(cyanomethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(cyanomethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(cyanomethylsulfanyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(cyanomethylthio)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(cyanomethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(cyanomethylthio)-4-(2-furfuryl)-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1CC2=CC=CO2)SCC#N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1CC2=CC=CO2)SCC#N

InChI

InChI=1S/C13H14N4O3S/c1-2-19-12(18)8-11-15-16-13(21-7-5-14)17(11)9-10-4-3-6-20-10/h3-4,6H,2,7-9H2,1H3