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

Systemtic Name: ethyl 2-[5-[(1R)-1-cyanoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(1R)-1-cyanoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[[(1R)-1-cyanoethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(1R)-1-cyanoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[(1R)-1-cyanoethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SC(C)C#N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)S[C@H](C)C#N

InChI

InChI=1S/C15H22N4O2S/c1-3-21-14(20)9-13-17-18-15(22-11(2)10-16)19(13)12-7-5-4-6-8-12/h11-12H,3-9H2,1-2H3/t11-/m1/s1