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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[[2-(isopropylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S/c1-4-24-16(23)10-14-19-20-17(25-11-15(22)18-12(2)3)21(14)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,18,22)