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

Systemtic Name: tert-butyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C15H25N3O2S MolecularWeight: 311.4429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NNC(=N1)CCC2CCCC2

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NNC(=N1)CCC2CCCC2

InChI

InChI=1S/C15H25N3O2S/c1-15(2,3)20-13(19)10-21-14-16-12(17-18-14)9-8-11-6-4-5-7-11/h11H,4-10H2,1-3H3,(H,16,17,18)