(1-cyanoindolizin-2-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CN3C=CC=CC3=C2C#N)C4=CC=CS4

InChI

InChI=1S/C20H17N5O2S2/c1-2-25-19(17-7-5-9-28-17)22-23-20(25)29-13-18(26)27-12-14-11-24-8-4-3-6-16(24)15(14)10-21/h3-9,11H,2,12-13H2,1H3