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

Systemtic Name: tert-butyl 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)27-18(25)14-28-20-23-22-19(15-10-12-17(26-4)13-11-15)24(20)16-8-6-5-7-9-16/h10-13,16H,5-9,14H2,1-4H3