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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H32N4O3S MolecularWeight: 396.54738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC(=O)OCC

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC(=O)OCC

InChI

InChI=1S/C19H32N4O3S/c1-4-14(5-2)20-17(24)13-27-19-22-21-16(12-18(25)26-6-3)23(19)15-10-8-7-9-11-15/h14-15H,4-13H2,1-3H3,(H,20,24)