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

Systemtic Name: cyclohexyl 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-29-19-12-8-17(9-13-19)23-25-26-24(27(23)18-10-14-20(30-2)15-11-18)32-16-22(28)31-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3