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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[[2-(cyclopentylamino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3CCCC3

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3CCCC3

InChI

InChI=1S/C19H30N4O3S/c1-2-26-18(25)12-16-21-22-19(23(16)15-10-4-3-5-11-15)27-13-17(24)20-14-8-6-7-9-14/h14-15H,2-13H2,1H3,(H,20,24)