[(1R)-1-cyanoethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [(1R)-1-cyanoethyl] ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C#N)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O[C@H](C)C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4O2S/c1-3-19-14(12-7-5-4-6-8-12)17-18-15(19)22-10-13(20)21-11(2)9-16/h4-8,11H,3,10H2,1-2H3/t11-/m1/s1