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

Systemtic Name: ethyl 2-[5-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NCCC#N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NCCC#N

InChI

InChI=1S/C17H25N5O3S/c1-2-25-16(24)11-14-20-21-17(22(14)13-7-4-3-5-8-13)26-12-15(23)19-10-6-9-18/h13H,2-8,10-12H2,1H3,(H,19,23)