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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O4S/c1-3-28-20(26)13-19-22-23-21(24(19)15-9-5-4-6-10-15)29-14-17(25)16-11-7-8-12-18(16)27-2/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3